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Equation of states

Clicking the Equation of States icon on the main window toolbar opens the window shown below. This tool calculates pressure from the equation of state (EOS) of a standard material.

Full Equation of States window

In high-pressure experiments, a standard material (pressure marker) is loaded together with the sample to serve as a pressure reference. The pressure is then derived from the marker's measured lattice constant (volume) and its known equation of state. This tool performs that calculation.

How to use

  1. Use the checkboxes at the top of the window to select the standard material(s) for which you want to determine the pressure.
  2. For each selected material, the calculated result (pressure) is displayed in the lower part of the window.
  3. You can compute the pressure by entering the lattice constants (a, a0) or volume (V, V0) directly.
  4. When you drag a diffraction line in the main window, its value is immediately reflected in the EOS calculation.

Relationship to the crystal list

The standard materials correspond to the crystals shown as pink rows in the crystal list. Roughly 10 materials are provided by default: gold (Au), platinum (Pt), NaCl-B1, NaCl-B2, periclase (MgO), corundum (Al2O3), argon (Ar), rhenium (Re), molybdenum (Mo), lead (Pb), and others.

Supported standard materials

The standard materials that can be selected with the checkboxes at the top of the window are listed below. Each material provides several equations of state from different researchers (references), and the results for every selected entry are displayed individually.

Standard material Description
Au (Gold) Gold
Pt (Platinum) Platinum
NaCl (B1) Sodium chloride (B1 structure, rock-salt type)
NaCl (B2) Sodium chloride (B2 structure, CsCl type)
MgO (Periclase) Magnesium oxide (periclase)
Al2O3 (Corundum) Aluminum oxide (corundum)
Ar Argon
Re Rhenium
Mo Molybdenum
Pb Lead
hBN Hexagonal boron nitride

Input parameters

Each material's groupBox lets you enter or read the following values.

Item Description
a / V Measured lattice constant or volume. Updated automatically when you drag a diffraction line in the main window.
a0 / V0 Lattice constant or volume at ambient (reference) conditions.
Temperature Sample temperature. Used by equations of state that include thermal pressure (high-temperature EOS).
T0 Reference temperature. Used together with Temperature to apply the thermal-pressure correction.

Temperature-dependent equations of state

Some references support high-temperature equations of state that include thermal pressure. By entering Temperature and T0 to match your experimental conditions, you obtain a pressure that includes the temperature correction. Formulations based on the Mie-Grüneisen(-Debye) model, such as the Vinet/BM forms of Sakai+(11), fall into this category.

References per material

Each material's groupBox lists several equations of state from different references, and the pressure computed by each formula is displayed simultaneously. You can compare them and choose the reference that best suits your study or measurement conditions. Representative examples are shown below.

Gold

List of equation-of-state references for gold

For gold (Au (Gold)), equations of state such as Yokoo (09), Matsui (09), Holmes (89), Jamieson (82), and Fratanduono (21) are available.

NaCl (B1 structure)

List of equation-of-state references for NaCl-B1

For NaCl (B1), equations of state such as Brown (99), Sakai+, and Matsui (12) are available.

Periclase (MgO)

List of equation-of-state references for periclase MgO

For MgO (Periclase), equations of state such as Tange (09) BM, Tange (09) Vinet, Aizawa (06), Dewaele (00), and Jackson (98) are available.

Other materials

Platinum (Pt (Platinum): Fratanduono (21), Holmes (89), etc.), NaCl (B2) (Sakai (02), Ueda+(08), etc.), corundum (Al2O3 (Corundum): Sata (02), etc.), Ar (Dubrovinsky (98), Ross et al. (86), Jephcoat (98), etc.), Re (Zha et al. (04), etc.), Mo (Zhao+(00), Huang+(16) MGD, etc.), and Pb (Strässle+(14), etc.) likewise offer a choice of several references.

Theory of the equations of state

The equation of state \( P = P(V, T) \) expresses the relationship between a substance's pressure, volume, and temperature; this tool's role is to obtain the pressure \( P \) from the measured volume \( V \). The pressure is computed as the sum of an isothermal compression term \( P_\text{st}(V) \) at the reference temperature and a thermal pressure term \( \Delta P_\text{th} \) due to the temperature difference.

\[P(V, T) = P_\text{st}(V) + \Delta P_\text{th}(V, T)\]

The general formulas below are the common framework this form uses to compute the pressure of each standard material; each source either plugs published parameters into this framework or uses a source-specific equation (see Formulas by source below for the specifics). For the per-crystal EOS tab of the Crystal Information control, see Crystal parameter.

Symbols

Symbol Meaning
\( V_0,\ V \) unit-cell volume in the reference / measured state
\( K_0 \) isothermal bulk modulus at the reference temperature and volume
\( K_0' \) pressure derivative of \( K_0 \)
\( K_0'' \) second pressure derivative of \( K_0 \) (used in BM4)
\( T_0,\ T \) reference / measured temperature
\( \gamma_0 \) Grüneisen parameter at the reference volume
\( \theta_0 \) Debye temperature at the reference volume
\( q \) volume dependence of the Grüneisen parameter
\( n \) atoms per formula unit
\( R \) gas constant

Isothermal compression term \( P_\text{st}(V) \)

Let the compression ratio be \( x = V_0/V \).

Third-order Birch-Murnaghan (BM3, default)

\[P_\text{st} = \tfrac{3}{2}K_0\left(x^{7/3} - x^{5/3}\right)\left[1 + \tfrac{3}{4}(K_0' - 4)\left(x^{2/3} - 1\right)\right]\]

Vinet: with \( y = (V/V_0)^{1/3} \),

\[P_\text{st} = 3K_0\,\frac{1-y}{y^2}\,\exp\!\left[\tfrac{3}{2}(K_0' - 1)(1 - y)\right]\]

The fourth-order Birch-Murnaghan equation (BM4, adding higher-order terms involving \( K_0'' \)), AP2, and Keane equations are also available.

Thermal pressure term \( \Delta P_\text{th}(V, T) \)

Mie-Grüneisen-Debye model (default): with the molar volume \( V_m \) (reference \( V_{m0} \)), the Grüneisen parameter and Debye temperature are

\[\gamma = \gamma_0\left(\frac{V_m}{V_{m0}}\right)^{q},\qquad \theta = \theta_0\exp\!\left[\frac{\gamma_0 - \gamma}{q}\right]\]

and the thermal pressure is

\[\Delta P_\text{th} = \frac{\gamma}{V_m}\Bigl[E_\text{th}(T,\theta) - E_\text{th}(T_0,\theta)\Bigr]\]

where \( E_\text{th} \) is the Debye internal energy

\[E_\text{th}(T,\theta) = 9nRT\left(\frac{T}{\theta}\right)^3\int_0^{\theta/T}\frac{t^3}{e^t - 1}\,dt.\]

T-dependence K0&V0 model: the bulk modulus and reference volume are treated as functions of temperature, with \( K_{T0} = K_0 + (\partial K/\partial T)(T - T_0) \) and a temperature-corrected reference volume \( V_0(T) \) obtained by integrating the thermal expansivity \( \alpha(T) = A\times10^{-5} + B\times10^{-9}\,T + C/T^2 \); these are then substituted into the isothermal equations above.

The specific parameter values and the background of each material's published EOS are also summarized on the author's explanatory page.

Formulas by source

For each standard material, the pressure is computed in one of three ways per source:

  1. General formula + published parameters: combine the isothermal BM3 / BM4 / Vinet with the Mie-Grüneisen-Debye thermal pressure, plugging in the source's published values.
  2. Source-specific closed form: a formula specific to that source (given where it applies).
  3. Interpolation of a published P-V-T table: not an analytic equation, but a two-stage cubic-spline interpolation (along compression, then temperature) of the source's tabulated pressure–volume–temperature data.

The sources FormEOS displays for each material are listed below (parameters are the published values hard-coded in the implementation; K0 in GPa, temperature in K, volume ratio V/V0). For the forms of BM3/BM4/Vinet/Mie-Grüneisen-Debye, see the previous section.

Gold (Au)

Source Model Main parameters
Jamieson82 spline of a P-V-T table compression x=1−V/V0, T=200–1500 K
Anderson89 BM3 + linear thermal term K0=166.65, K0'=5.4823, ∂K/∂T=−0.0115
Sim02 BM3 + Mie-Grüneisen-Debye K0=167, K0'=5.0; θ0=170, γ0=2.97, q=1.0, n=1
Tsuchiya03 spline of a P-V-T table T=300–2500 K
Yokoo09 spline of a P-V-T table T=0–3000 K
Fratanduono21 Vinet (isothermal) K0=170.09, K0'=5.880

Anderson89 thermal term: \(\Delta P_\text{th} = \left[0.00714 + (\partial K/\partial T)\ln(V_0/V)\right](T-300)\).

Platinum (Pt)

Source Model Main parameters
Jamieson82 spline of a P-V-T table T=200–1500 K
Holmes89 Vinet (isothermal) + linear thermal term K0=266, K0'=5.81, αT=0.261
Matsui09 Vinet + Mie-Grüneisen-Debye + electronic term Pel K0=273, K0'=5.20; θ0=230, γ0=2.70, q=1.10
Yokoo09 spline of a P-V-T table T=0–3000 K
Fratanduono21 Vinet (isothermal) K0=259.7, K0'=5.839

Holmes89 thermal term: \(\Delta P_\text{th} = \alpha_T K_0 (T-300)/10000\). Matsui09's electronic pressure \(P_\text{el}\) is a cubic polynomial in temperature (~0.04 GPa at the 300 K reference).

Argon (Ar)

Source Model Main parameters
Ross86 spline of a P-V table (273 K isotherm) molar volume [cm³/mol] interpolated
Jephcoat98 BM3 + Mie-Grüneisen-Debye K0=3.03, K0'=7.24; θ0=93.3, γ0=0.5, T0=4 K

Jephcoat98 makes γ linear in volume: \(\gamma = \gamma_0 + \gamma_1 (V/V_0)\) (γ1=2.20, θ fixed at θ0).

Magnesium oxide (MgO)

Source Model Main parameters
Jackson98 BM3 + Mie-Grüneisen-Debye K0=162.5, K0'=4.13; θ0=673, γ0=1.41, q=1.3, n=2
Dewaele00 BM3 + Mie-Grüneisen-Debye K0=161, K0'=3.94; θ0=800, γ0=1.45, q=0.8, n=2
Aizawa06 BM3 + Mie-Grüneisen-Debye K0=160, K0'=4.15; θ0=773, γ0=1.41, q=0.7, n=2
Tange09 Vinet Vinet + Tange thermal K0=160.63, K0'=4.367; θ0=761, γ0=1.442, a=0.138, b=5.4
Tange09 BM BM3 + Tange thermal K0=160.64, K0'=4.221; θ0=761, γ0=1.431, a=0.29, b=3.5

The Tange thermal term uses a volume dependence \(\gamma=\gamma_0\left[1+a\left((V/V_0)^{b}-1\right)\right]\) and approximates the Debye internal energy by a polynomial in θ/T.

Sodium chloride NaCl (B2 structure)

Source Model Main parameters
Sata02 (Pt scale) Decker/Sata closed form Pr=31.14, Kr=143.5, V0=27.17 ų
Sata02 (MgO scale) Decker/Sata closed form Pr=32.15, Kr=141.0, V0=27.17 ų
Ueda08 Vinet + linear thermal term K0=28.45, K0'=5.16; thermal 0.00468(T−300)
Sakai11 BM BM3 (isothermal) K0=47.00, K0'=4.10, V0=37.73 ų
Sakai11 Vinet Vinet (isothermal) K0=40.40, K0'=5.04, V0=37.73 ų

Sata form: \(P = P_r (V/V_0)^{-2/3}\exp\!\left[-(3K_r/P_r-2)\left((V/V_0)^{1/3}-1\right)\right]\).

Sodium chloride NaCl (B1 structure)

Source Model Main parameters
Brown99 spline of a P-V-T table T=300–1200 K
Matsui12 BM4 + Mie-Grüneisen-Debye K0=23.7, K0'=5.14, K0''=−0.392; θ0=279, γ0=1.56, q=0.96, n=2
Skelton84 spline of a P-V-T table (linear strain 1−a/a0) T=0–298 K

Corundum Al2O3

Source Model Main parameters
Dubrovinsky98 BM3 (K0, V0 temperature-corrected) K0=258, K0'=4.88, ∂K/∂T=−0.020; thermal expansion a=2.6e−5, b=1.81e−9, c=−0.67

BM3 is evaluated with \(K_T=258+(\partial K/\partial T)(T-300)\) and the thermally expanded \(V_0(T)=V_0\exp\!\left[a(T-T_0)+\tfrac{b}{2}(T^2-T_0^2)-c(1/T-1/T_0)\right]\).

Rhenium (Re)

Source Model Main parameters
Zha04 spline of a P-V-T table x=1−V/V0=0–0.20, T=300–3000 K
Anz Vinet (isothermal) K0=352.6, K0'=4.56, V0=29.467 ų
Sakai Vinet (isothermal) K0=358, K0'=4.8, V0=29.47 ų
Dub BM4 (isothermal) K0=342, K0'=6.15, K0''=−0.029, V0=29.46 ų

Molybdenum (Mo)

Source Model Main parameters
Huang16 BM3 + Mie-Grüneisen-Debye K0=255, K0'=4.25; θ0=470, γ0=2.01, q=0.6, n=1, z=2
Zhao00 BM4 + thermal-expansion correction (T-dependence) K0=268, K0'=3.81, K0''=−0.0141, ∂K/∂T=−0.0213; thermal expansion A=1.31e−5, B=11.2e−9

Zhao00 evaluates BM4 with \(K_{T0}=K_0+(\partial K/\partial T)(T-T_0)\) and a thermally corrected \(V_0(T)\).

Lead (Pb)

Source Model Main parameters
Strassle14 Vinet (K0, K0', a0 temperature-interpolated) B(T), B'(T), a0(T) linearly interpolated from measured tables (B/B' over 0–300 K, a0 over 0–310 K)
  • For registering crystals and the crystal list display, see related pages such as Profile information.

P–V–T tables used for spline interpolation

Among the sources listed in Per-source formulas, some have no closed-form equation and instead obtain pressure by spline-interpolating a published P–V–T table. These tables are not included in the external explanatory page (yseto.net), so the raw data used by the implementation is reproduced verbatim below (source: EOS.cs / FormEOS.cs).

Interpolation procedure: for each temperature column a cubic spline is built along the compression \( x \) (usually \( x = 1 - V/V_0 \); for Skelton the linear strain \( x = 1 - a/a_0 \)) and evaluated at the target \( x \); the resulting pressures are then cubic-spline interpolated along temperature \( T \) to the target temperature (two-stage spline). Blank cells indicate values absent from the source data (not used in interpolation). Pressures are in GPa unless noted otherwise.

Gold (Au) — Jamieson (1982)
x = 1−V/V₀ 200 K 300 K 400 K 500 K 600 K 700 K 800 K 900 K 1000 K 1100 K 1200 K 1300 K 1400 K 1500 K
-0.01 -2.28 -1.52 -0.75 0.02 0.79 1.56 2.33 3.11 3.88 4.66 5.43 6.2 6.98 7.75
-0.005 -1.51 -0.75 0.02 0.79 1.56 2.33 3.1 3.88 4.65 5.42 6.2 6.97 7.75 8.52
0 -0.7 0.05 0.82 1.59 2.36 3.13 3.9 4.68 5.45 6.23 7 7.77 8.55 9.32
0.005 0.13 0.89 1.65 2.42 3.19 3.96 4.74 5.51 6.28 7.06 7.83 8.61 9.38 10.16
0.01 1 1.75 2.52 3.29 4.06 4.83 5.6 6.38 7.15 7.92 8.7 9.47 10.25 11.02
0.015 1.9 2.65 3.42 4.19 4.96 5.73 6.5 7.27 8.05 8.82 9.6 10.37 11.14 11.92
0.02 2.83 3.59 4.35 5.12 5.89 6.66 7.44 8.21 8.98 9.76 10.53 11.3 12.08 12.85
0.025 3.8 4.56 5.32 6.09 6.86 7.63 8.4 9.18 9.95 10.72 11.5 12.27 13.05 13.82
0.03 4.81 5.56 6.33 7.09 7.86 8.64 9.41 10.18 10.96 11.73 12.5 13.28 14.05 14.83
0.035 5.85 6.61 7.37 8.14 8.91 9.68 10.45 11.22 12 12.77 13.54 14.32 15.09 15.87
0.04 6.94 7.69 8.45 9.22 9.99 10.76 11.53 12.3 13.08 13.85 14.62 15.4 16.17 16.95
0.045 8.06 8.81 9.57 10.34 11.11 11.88 12.65 13.42 14.2 14.97 15.74 16.52 17.29 18.07
0.05 9.22 9.97 10.73 11.5 12.27 13.04 13.81 14.58 15.36 16.13 16.9 17.68 18.45 19.23
0.055 10.42 11.17 11.93 12.7 13.47 14.24 15.01 15.78 16.56 17.33 18.1 18.88 19.65 20.43
0.06 11.66 12.41 13.17 13.94 14.71 15.48 16.25 17.02 17.8 18.57 19.34 20.12 20.89 21.67
0.065 12.95 13.7 14.46 15.22 15.99 16.76 17.54 18.31 19.08 19.86 20.63 21.4 22.18 22.95
0.07 14.28 15.03 15.79 16.55 17.32 18.09 18.86 19.64 20.41 21.18 21.96 22.73 23.5 24.28
0.075 15.65 16.4 17.16 17.93 18.69 19.47 20.24 21.01 21.78 22.56 23.33 24.1 24.88 25.65
0.08 17.07 17.82 18.58 19.34 20.11 20.88 21.66 22.43 23.2 23.97 24.75 25.52 26.29 27.07
0.085 18.54 19.28 20.04 20.81 21.58 22.35 23.12 23.89 24.66 25.44 26.21 26.98 27.76 28.53
0.09 20.05 20.8 21.56 22.32 23.09 23.86 24.63 25.4 26.17 26.95 27.72 28.5 29.27 30.04
0.095 21.61 22.36 23.11 23.88 24.65 25.42 26.19 26.96 27.73 28.51 29.28 30.05 30.83 31.6
0.1 23.22 23.96 24.72 25.49 26.25 27.02 27.8 28.57 29.34 30.11 30.89 31.66 32.43 33.21
0.105 24.88 25.62 26.38 27.14 27.91 28.68 29.45 30.22 31 31.77 32.54 33.32 34.09 34.86
0.11 26.59 27.33 28.09 28.85 29.62 30.39 31.16 31.93 32.7 33.47 34.25 35.02 35.79 36.57
0.115 28.35 29.09 29.84 30.61 31.37 32.14 32.91 33.69 34.46 35.23 36 36.78 37.55 38.32
0.12 30.18 30.92 31.67 32.43 33.2 33.97 34.74 35.51 36.28 37.06 37.83 38.6 39.38 40.15
0.125 32.01 32.74 33.5 34.26 35.02 35.79 36.56 37.34 38.11 38.88 39.65 40.43 41.2 41.97
0.13 33.89 34.62 35.37 36.14 36.9 37.67 38.44 39.21 39.99 40.76 41.53 42.3 43.08 43.85
0.135 35.82 36.56 37.31 38.07 38.84 39.61 40.38 41.15 41.92 42.69 43.46 44.24 45.01 45.78
0.14 37.82 38.55 39.3 40.06 40.83 41.6 42.37 43.14 43.91 44.68 45.45 46.23 47 47.77
0.145 39.87 40.6 41.35 42.11 42.88 43.65 44.42 45.19 45.96 46.73 47.5 48.28 49.05 49.82
0.15 41.98 42.71 43.46 44.22 44.99 45.76 46.53 47.3 48.07 48.84 49.61 50.39 51.16 51.93
0.155 44.16 44.89 45.64 46.4 47.16 47.93 48.7 49.47 50.24 51.01 51.79 52.56 53.33 54.11
0.16 46.4 47.13 47.88 48.63 49.4 50.17 50.94 51.71 52.48 53.25 54.02 54.8 55.57 56.34
0.165 48.71 49.43 50.18 50.94 51.7 52.47 53.24 54.01 54.78 55.55 56.33 57.1 57.87 58.64
0.17 51.08 51.8 52.55 53.31 54.07 54.84 55.61 56.38 57.15 57.92 58.7 59.47 60.24 61.02
0.175 53.53 54.25 54.99 55.75 56.52 57.28 58.05 58.82 59.59 60.36 61.14 61.91 62.68 63.46
0.18 56.04 56.76 57.51 58.27 59.03 59.8 60.56 61.33 62.11 62.88 63.65 64.42 65.19 65.97
0.185 58.64 59.35 60.1 60.85 61.62 62.38 63.15 63.92 64.69 65.46 66.24 67.01 67.78 68.55
0.19 61.3 62.02 62.76 63.52 64.28 65.05 65.82 66.59 67.36 68.13 68.9 69.67 70.44 71.22
0.195 64.05 64.76 65.51 66.26 67.02 67.79 68.56 69.33 70.1 70.87 71.64 72.41 73.19 73.96
0.2 66.88 67.59 68.33 69.09 69.85 70.61 71.38 72.15 72.92 73.69 74.46 75.24 76.01 76.78
0.205 69.79 70.5 71.24 71.99 72.76 73.52 74.29 75.06 75.83 76.6 77.37 78.14 78.92 79.69
0.21 72.79 73.49 74.23 74.99 75.75 76.51 77.28 78.05 78.82 79.59 80.36 81.14 81.91 82.68
0.215 75.87 76.58 77.32 78.07 78.83 79.6 80.36 81.13 81.9 82.67 83.44 84.22 84.99 85.76
0.22 79.05 79.76 80.49 81.25 82.01 82.77 83.54 84.3 85.07 85.85 86.62 87.39 88.16 88.93
0.225 82.32 83.03 83.76 84.51 85.27 86.04 86.8 87.57 88.34 89.11 89.88 90.66 91.43 92.2
Gold (Au) — Tsuchiya (2003)
x = 1−V/V₀ 300 K 500 K 1000 K 1500 K 2000 K 2500 K
0 0 1.52 5.35 9.19 13.04 16.88
0.02 3.55 5.04 8.78 12.54 16.29 20.05
0.04 7.68 9.13 12.79 16.45 20.12 23.79
0.06 12.42 13.83 17.4 20.98 24.56 28.14
0.08 17.86 19.23 22.71 26.2 29.7 33.19
0.1 24.12 25.46 28.85 32.25 35.66 39.07
0.12 31.3 32.6 35.9 39.22 42.54 45.86
0.14 39.52 40.78 43.99 47.22 50.45 53.68
0.16 48.94 50.17 53.29 56.43 59.58 62.72
0.18 59.76 60.95 63.98 67.03 70.09 73.15
0.2 72.11 73.26 76.21 79.18 82.14 85.11
0.22 86.36 87.48 90.34 93.22 96.1 98.98
0.24 102.65 103.73 106.5 109.29 112.08 114.88
0.26 121.38 122.42 125.1 127.8 130.51 133.21
0.28 142.98 143.99 146.58 149.19 151.81 154.43
0.3 167.77 168.74 171.24 173.77 176.3 178.83
0.32 196.48 197.41 199.83 202.26 204.7 207.15
0.34 229.56 230.45 232.78 235.13 237.49 239.84
Gold (Au) — Yokoo et al. (2009)
x = 1−V/V₀ 0 K 300 K 500 K 1000 K 1500 K 2000 K 2500 K 3000 K
0 -1.73 0 1.42 4.99 8.58 12.18
0.02 1.92 3.59 4.98 8.49 12.02 15.56
0.04 6.08 7.7 9.07 12.53 16 19.48 22.99
0.06 10.83 12.41 13.76 17.16 20.59 24.02 27.47
0.08 16.26 17.8 19.13 22.49 25.87 29.26 32.67 36.1
0.1 22.46 23.96 25.27 28.59 31.93 35.29 38.66 42.06
0.12 29.55 31.01 32.3 35.59 38.91 42.23 45.58 48.94
0.14 37.65 39.07 40.36 43.62 46.91 50.21 53.53 56.87
0.16 46.93 48.31 49.59 52.83 56.1 59.39 62.69 66.01
0.18 57.55 58.9 60.17 63.4 66.66 69.93 73.22 76.53
0.2 69.73 71.05 72.31 75.54 78.79 82.06 85.34 88.65
0.22 83.71 85.01 86.27 89.49 92.74 96.01 99.3 102.61
0.24 99.8 101.07 102.33 105.56 108.82 112.1 115.39 118.71
0.26 118.34 119.58 120.84 124.08 127.36 130.65 133.96 137.3
0.28 139.75 140.96 142.23 145.49 148.78 152.1 155.43 158.79
0.3 164.52 165.71 166.98 170.26 173.59 176.93 180.3 183.68
0.32 193.25 194.42 195.7 199.01 202.37 205.75 209.16 212.58
0.34 226.67 227.82 229.1 232.46 235.86 239.29 242.74 246.2
0.36 265.66 266.78 268.08 271.48 274.93 278.41 281.91 285.44
0.38 311.29 312.39 313.7 317.15 320.66 324.2 327.77 331.35
0.4 364.87 365.95 367.27 370.78 374.37 377.98 381.61 385.26
Platinum (Pt) — Jamieson (1982)
x = 1−V/V₀ 200 K 300 K 400 K 500 K 600 K 700 K 800 K 900 K 1000 K 1100 K 1200 K 1300 K 1400 K 1500 K
-0.01 -3.2 -2.56 -1.92 -1.26 -0.61 0.04 0.7 1.36 2.01 2.67 3.33 3.98 4.64 5.3
-0.005 -1.92 -1.28 -0.63 0.02 0.67 1.33 1.98 2.64 3.3 3.95 4.61 5.27 5.92 6.58
0 -0.59 0.05 0.69 1.34 2 2.65 3.31 3.96 4.62 5.28 5.93 6.59 7.25 7.91
0.005 0.78 1.41 2.06 2.71 3.37 4.02 4.68 5.33 5.99 6.65 7.3 7.96 8.62 9.27
0.01 2.19 2.83 3.47 4.12 4.78 5.43 6.09 6.74 7.4 8.06 8.72 9.37 10.03 10.69
0.015 3.65 4.29 4.93 5.58 6.24 6.89 7.55 8.2 8.86 9.52 10.17 10.83 11.49 12.15
0.02 5.16 5.79 6.44 7.09 7.74 8.4 9.05 9.71 10.36 11.02 11.68 12.34 12.99 13.65
0.025 6.71 7.35 7.99 8.64 9.3 9.95 10.61 11.26 11.92 12.58 13.23 13.89 14.55 15.2
0.03 8.32 8.95 9.6 10.25 10.9 11.55 12.21 12.87 13.52 14.18 14.84 15.49 16.15 16.81
0.035 9.97 10.61 11.25 11.9 12.56 13.21 13.87 14.52 15.18 15.83 16.49 17.15 17.81 18.46
0.04 11.68 12.32 12.96 13.61 14.26 14.92 15.57 16.23 16.89 17.54 18.2 18.86 19.51 20.17
0.045 13.45 14.08 14.73 15.38 16.03 16.68 17.34 17.99 18.65 19.31 19.96 20.62 21.28 21.93
0.05 15.27 15.9 16.55 17.2 17.85 18.5 19.16 19.81 20.47 21.13 21.78 22.44 23.1 23.75
0.055 17.15 17.78 18.43 19.07 19.73 20.38 21.04 21.69 22.35 23 23.66 24.32 24.98 25.63
0.06 19.09 19.72 20.36 21.01 21.67 22.32 22.97 23.63 24.29 24.94 25.6 26.26 26.91 27.57
0.065 21.09 21.72 22.37 23.01 23.67 24.32 24.98 25.63 26.29 26.94 27.6 28.26 28.91 29.57
0.07 23.16 23.79 24.43 25.08 25.73 26.39 27.04 27.7 28.35 29.01 29.67 30.32 30.98 31.64
0.075 25.29 25.92 26.56 27.21 27.86 28.52 29.17 29.83 30.48 31.14 31.8 32.45 33.11 33.77
0.08 27.49 28.12 28.76 29.41 30.06 30.72 31.37 32.03 32.68 33.34 34 34.65 35.31 35.97
0.085 29.77 30.39 31.03 31.68 32.33 32.99 33.64 34.3 34.95 35.61 36.27 36.92 37.58 38.24
0.09 32.11 32.74 33.38 34.03 34.68 35.33 35.98 36.64 37.3 37.95 38.61 39.27 39.92 40.58
0.095 34.53 35.16 35.8 36.44 37.1 37.75 38.4 39.06 39.71 40.37 41.03 41.68 42.34 43
0.1 37.03 37.65 38.29 38.94 39.59 40.25 40.9 41.55 42.21 42.87 43.52 44.18 44.84 45.49
0.105 39.61 40.23 40.87 41.52 42.17 42.82 43.48 44.13 44.79 45.44 46.1 46.76 47.41 48.07
0.11 42.27 42.89 43.53 44.18 44.83 45.48 46.14 46.79 47.45 48.1 48.76 49.42 50.07 50.73
0.115 45.02 45.64 46.28 46.93 47.58 48.23 48.88 49.54 50.19 50.85 51.51 52.16 52.82 53.48
0.12 47.85 48.48 49.11 49.76 50.41 51.06 51.72 52.37 53.03 53.68 54.34 55 55.65 56.31
0.125 50.78 51.4 52.04 52.69 53.34 53.99 54.64 55.3 55.95 56.61 57.27 57.92 58.58 59.24
0.13 53.81 54.43 55.07 55.71 56.36 57.01 57.67 58.32 58.98 59.63 60.29 60.95 61.6 62.26
0.135 56.93 57.55 58.19 58.83 59.48 60.13 60.79 61.44 62.1 62.75 63.41 64.07 64.72 65.38
0.14 60.16 60.77 61.41 62.06 62.71 63.36 64.01 64.67 65.32 65.98 66.63 67.29 67.95 68.6
0.145 63.49 64.1 64.74 65.39 66.04 66.69 67.34 68 68.65 69.31 69.96 70.62 71.28 71.93
0.15 66.93 67.54 68.18 68.83 69.47 70.13 70.78 71.43 72.09 72.74 73.4 74.06 74.71 75.37
0.155 70.48 71.1 71.73 72.38 73.03 73.68 74.33 74.99 75.64 76.3 76.95 77.61 78.27 78.92
0.16 74.16 74.77 75.4 76.05 76.7 77.35 78 78.66 79.31 79.97 80.62 81.28 81.94 82.59
0.165 77.95 78.56 79.2 79.84 80.49 81.14 81.79 82.45 83.1 83.76 84.41 85.07 85.73 86.38
0.17 81.87 82.48 83.12 83.76 84.41 85.06 85.71 86.37 87.02 87.68 88.33 88.99 89.65 90.3
0.175 85.93 86.54 87.17 87.81 88.46 89.11 89.76 90.42 91.07 91.73 92.38 93.04 93.7 94.35
0.18 90.11 90.72 91.36 92 92.65 93.3 93.95 94.6 95.26 95.91 96.57 97.23 97.88 98.54
Platinum (Pt) — Yokoo et al. (2009)
x = 1−V/V₀ 0 K 300 K 500 K 1000 K 1500 K 2000 K 2500 K 3000 K
0 -1.76 0 1.52 5.37 9.25 13.15 17.09 21.06
0.02 4.18 5.89 7.38 11.16 14.97 18.81 22.67 26.57
0.04 10.9 12.55 14.02 17.74 21.49 25.27 29.07 32.92
0.06 18.48 20.09 21.53 25.2 28.91 32.63 36.39 40.18
0.08 27.06 28.62 30.04 33.67 37.33 41.02 44.73 48.48
0.1 36.76 38.28 39.68 43.28 46.9 50.56 54.24 57.96
0.12 47.73 49.21 50.61 54.18 57.78 61.4 65.06 68.76
0.14 60.16 61.61 63 66.54 70.13 73.74 77.38 81.06
0.16 74.26 75.68 77.06 80.59 84.17 87.77 91.41 95.08
0.18 90.28 91.66 93.04 96.57 100.14 103.74 107.38 111.05
0.2 108.48 109.85 111.22 114.75 118.33 121.94 125.58 129.26
0.22 129.22 130.56 131.93 135.48 139.07 142.7 146.35 150.05
0.24 152.88 154.2 155.57 159.14 162.75 166.4 170.08 173.8
0.26 179.94 181.23 182.61 186.2 189.84 193.52 197.24 200.98
0.28 210.93 212.2 213.59 217.21 220.9 224.61 228.37 232.15
0.3 246.53 247.77 249.17 252.83 256.56 260.33 264.13 267.97
0.32 287.51 288.74 290.14 293.85 297.64 301.46 305.32 309.21
0.34 334.83 336.03 337.45 341.21 345.06 348.95 352.87 356.83
0.36 389.62 390.8 392.23 396.06 399.98 403.94 407.94 411.97
0.38 453.28 454.44 455.89 459.79 463.78 467.83 471.9 476.02
0.4 527.51 528.64 530.11 534.08 538.17 542.3 546.47 550.69
NaCl (B1) — Brown (1999)
x = 1−V/V₀ 300 K 400 K 500 K 600 K 700 K 800 K 900 K 1000 K 1100 K 1200 K
0.3197 23.68 23.91 24.15 24.4 24.64 24.89 25.14 25.39 25.64 25.9
0.3147 22.88 23.11 23.36 23.6 23.85 24.1 24.35 24.6 24.85 25.11
0.31 22.1 22.34 22.58 22.83 23.08 23.33 23.58 23.83 24.09 24.34
0.305 21.35 21.59 21.83 22.08 22.33 22.58 22.83 23.08 23.34 23.59
0.3002 20.62 20.85 21.1 21.35 21.6 21.85 22.1 22.36 22.61 22.87
0.2952 19.9 20.14 20.39 20.64 20.89 21.14 21.39 21.65 21.9 22.16
0.2903 19.21 19.45 19.69 19.94 20.2 20.45 20.7 20.96 21.22 21.47
0.2855 18.53 18.77 19.02 19.27 19.52 19.78 20.03 20.29 20.55 20.8
0.2805 17.87 18.12 18.37 18.62 18.87 19.13 19.38 19.64 19.9 20.16
0.2755 17.24 17.48 17.73 17.98 18.24 18.49 18.75 19.01 19.27 19.53
0.2708 16.62 16.86 17.11 17.36 17.62 17.88 18.14 18.39 18.65 18.91
0.2658 16.01 16.26 16.51 16.76 17.02 17.28 17.54 17.8 18.06 18.32
0.261 15.43 15.67 15.93 16.18 16.44 16.7 16.96 17.22 17.48 17.74
0.2561 14.86 15.11 15.36 15.62 15.87 16.13 16.39 16.66 16.92 17.18
0.2511 14.31 14.55 14.81 15.07 15.33 15.59 15.85 16.11 16.37 16.63
0.2463 13.77 14.02 14.27 14.53 14.79 15.05 15.32 15.58 15.84 16.1
0.2413 13.25 13.5 13.75 14.01 14.27 14.54 14.8 15.06 15.33 15.59
0.2364 12.74 12.99 13.25 13.51 13.77 14.03 14.3 14.56 14.83 15.09
0.2316 12.25 12.5 12.76 13.02 13.28 13.55 13.81 14.08 14.34 14.61
0.2266 11.78 12.03 12.29 12.55 12.81 13.07 13.34 13.61 13.87 14.14
0.2219 11.31 11.56 11.82 12.09 12.35 12.62 12.88 13.15 13.42 13.68
0.2169 10.86 11.12 11.38 11.64 11.9 12.17 12.44 12.71 12.97 13.24
0.2119 10.43 10.68 10.94 11.21 11.47 11.74 12.01 12.27 12.54 12.81
0.2071 10 10.26 10.52 10.78 11.05 11.32 11.59 11.86 12.13 12.4
0.2022 9.59 9.85 10.11 10.38 10.64 10.91 11.18 11.45 11.72 11.99
0.1972 9.19 9.45 9.71 9.98 10.25 10.52 10.79 11.06 11.33 11.6
0.1924 8.81 9.06 9.33 9.6 9.86 10.13 10.41 10.68 10.95 11.22
0.1874 8.43 8.69 8.95 9.22 9.49 9.76 10.03 10.31 10.58 10.85
0.1827 8.06 8.32 8.59 8.86 9.13 9.4 9.67 9.95 10.22 10.49
0.1777 7.71 7.97 8.24 8.51 8.78 9.05 9.33 9.6 9.87 10.15
0.1727 7.37 7.63 7.9 8.17 8.44 8.71 8.99 9.26 9.54 9.81
0.168 7.03 7.3 7.56 7.84 8.11 8.38 8.66 8.93 9.21 9.48
0.163 6.71 6.97 7.24 7.51 7.79 8.06 8.34 8.61 8.89 9.17
0.1582 6.39 6.66 6.93 7.2 7.48 7.75 8.03 8.31 8.58 8.86
0.1532 6.09 6.35 6.63 6.9 7.17 7.45 7.73 8.01 8.28 8.56
0.1483 5.79 6.06 6.33 6.61 6.88 7.16 7.44 7.72 7.99 8.27
0.1435 5.5 5.77 6.04 6.32 6.6 6.88 7.15 7.43 7.71 7.99
0.1336 4.95 5.22 5.5 5.78 6.06 6.33 6.62 6.9 7.18 7.46
0.1238 4.44 4.71 4.99 5.26 5.55 5.83 6.11 6.39 6.67 6.96
0.1141 3.95 4.22 4.5 4.78 5.07 5.35 5.63 5.92 6.2 6.49
0.1043 3.49 3.77 4.05 4.33 4.62 4.9 5.19 5.47 5.76 6.04
0.0944 3.07 3.34 3.62 3.91 4.19 4.48 4.77 5.05 5.34 5.63
0.0846 2.66 2.94 3.22 3.51 3.8 4.08 4.37 4.66 4.95 5.24
0.0749 2.28 2.56 2.85 3.13 3.42 3.71 4 4.29 4.58 4.87
0.0652 1.92 2.2 2.49 2.78 3.07 3.36 3.65 3.94 4.23 4.52
0.0554 1.58 1.86 2.15 2.44 2.73 3.02 3.31 3.6 3.89 4.19
0.0407 1.1 1.39 1.68 1.97 2.26 2.55 2.84 3.13 3.43 3.72
0.026 0.67 0.95 1.24 1.53 1.82 2.12 2.41 2.7 3 3.29
0.0113 0.27 0.56 0.85 1.14 1.43 1.72 2.01 2.31 2.6 2.9
0.0015 0.03 0.32 0.6 0.89 1.19 1.48 1.77 2.06 2.36 2.65
0 0
-0.0035 -0.09 0.2 0.49 0.78 1.07 1.36 1.65 1.95 2.24 2.53
-0.0132 -0.02 0.27 0.56 0.85 1.14 1.43 1.72 2.01 2.31
-0.0229 0.06 0.35 0.64 0.93 1.22 1.51 1.8 2.09
-0.0329 -0.13 0.15 0.44 0.73 1.02 1.31 1.6 1.89
-0.0426 -0.03 0.25 0.54 0.83 1.11 1.4 1.69
-0.0524 0.08 0.36 0.65 0.93 1.22 1.5
-0.0671 -0.16 0.12 0.4 0.68 0.96 1.25
-0.0818 -0.1 0.17 0.45 0.73 1.01
-0.1013 -0.09 0.18 0.46 0.73
-0.121 -0.05 0.22 0.48
-0.1405 0.01 0.27
-0.1602 -0.18 0.08
-0.1699 -0.01
NaCl (B1) — Skelton et al. (1984)
x = 1−a/a₀ 0 K 40 K 60 K 80 K 100 K 120 K 140 K 160 K 200 K 250 K 298 K
0 0
0.002 0.009 0.144
0.004 0.022 0.16 0.294
0.006 0.023 0.072 0.175 0.313 0.447
0.008 0.012 0.016 0.032 0.06 0.096 0.137 0.183 0.231 0.334 0.472 0.606
0.01 0.178 0.183 0.198 0.225 0.262 0.302 0.348 0.396 0.499 0.636 0.77
0.012 0.349 0.353 0.368 0.395 0.431 0.471 0.516 0.564 0.667 0.804 0.938
0.016 0.707 0.71 0.725 0.751 0.786 0.825 0.871 0.918 1.02 1.157 1.291
0.02 1.087 1.091 1.104 1.13 1.164 1.203 1.248 1.295 1.397 1.533 1.667
0.024 1.49 1.493 1.506 1.531 1.565 1.603 1.647 1.695 1.796 1.931 2.065
0.028 1.919 1.921 1.933 1.957 1.99 2.028 2.072 2.119 2.219 2.355 2.488
0.032 2.373 2.375 2.386 2.409 2.442 2.479 2.522 2.569 2.669 2.804 2.937
0.036 2.854 2.855 2.866 2.889 2.92 2.957 3 3.046 3.145 3.28 3.413
0.04 3.364 3.365 3.376 3.397 3.427 3.464 3.506 3.552 3.651 3.785 3.918
0.044 3.904 3.905 3.915 3.935 3.965 4.001 4.043 4.088 4.187 4.321 4.453
0.048 4.476 4.477 4.486 4.506 4.535 4.57 4.612 4.657 4.755 4.888 5.02
0.052 5.081 5.082 5.09 5.109 5.138 5.172 5.214 5.258 5.355 5.488 5.62
0.056 5.721 5.722 5.73 5.748 5.776 5.81 5.85 5.895 5.991 6.124 6.255
0.06 6.4 6.399 6.407 6.424 6.451 6.485 6.525 6.569 6.665 6.797 6.928
0.064 7.117 7.117 7.124 7.14 7.166 7.199 7.239 7.282 7.378 7.509 7.64
0.068 7.875 7.875 7.881 7.897 7.923 7.955 7.994 8.037 8.132 8.263 8.393
0.072 8.677 8.676 8.682 8.697 8.722 8.753 8.792 8.835 8.929 9.059 9.189
0.076 9.524 9.523 9.528 9.543 9.567 9.598 9.636 9.678 9.771 9.901 10.031
0.08 10.419 10.418 10.423 10.437 10.46 10.49 10.528 10.57 10.662 10.792 10.921
0.084 11.365 11.363 11.368 11.381 11.403 11.433 11.47 11.511 11.603 11.732 11.861
0.088 12.364 12.362 12.366 12.379 12.4 12.43 12.466 12.507 12.598 12.726 12.855
0.092 13.421 13.418 13.422 13.434 13.455 13.483 13.52 13.56 13.65 13.778 13.906
0.096 14.535 14.533 14.536 14.547 14.567 14.595 14.631 14.671 14.76 14.887 15.015
0.1 15.713 15.71 15.713 15.723 15.742 15.77 15.805 15.844 15.933 16.06 16.187
0.104 16.956 16.953 16.956 16.965 16.984 17.011 17.045 17.084 17.173 17.298 17.425
0.108 18.268 18.264 18.266 18.275 18.293 18.32 18.354 18.392 18.48 18.604 18.731
0.112 19.653 19.65 19.651 19.66 19.677 19.703 19.736 19.774 19.861 19.985 20.111
0.116 21.115 21.111 21.112 21.12 21.136 21.162 21.195 21.232 21.318 21.441 21.567
0.12 22.658 22.654 22.655 22.662 22.678 22.703 22.735 22.772 22.857 22.98 23.105
0.124 24.286 24.281 24.282 24.289 24.304 24.328 24.36 24.396 24.48 24.602 24.727
0.126 25.134 25.129 25.13 25.136 25.15 25.174 25.206 25.242 25.326 25.448 25.572
0.128 26.003 25.999 25.999 26.005 26.019 26.043 26.074 26.11 26.194 26.315 26.439
0.13 26.898 26.893 26.894 26.899 26.913 26.936 26.968 27.003 27.086 27.207 27.331
0.132 27.816 27.811 27.811 27.816 27.83 27.853 27.884 27.919 28.002 28.122 28.246
0.134 28.76 28.755 28.755 28.759 28.773 28.796 28.826 28.861 28.944 29.064 29.187
0.136 29.729 29.723 29.723 29.728 29.741 29.763 29.793 29.828 29.91 30.03 30.153
0.138 30.723 30.718 30.718 30.722 30.735 30.757 30.787 30.821 30.903 31.022 31.145
Rhenium (Re) — Zha et al. (2004)
x = 1−V/V₀ 300 K 500 K 1000 K 1500 K 2000 K 2500 K 3000 K
0 0 1.31 4.81 8.54 12.42 16.34 20.26
0.01 3.7 5.02 8.53 12.25 16.09 19.98 23.86
0.02 7.61 8.94 12.46 16.16 19.97 23.82 27.67
0.03 11.74 13.07 16.6 20.29 24.07 27.88 31.69
0.04 16.11 17.45 20.98 24.64 28.39 32.16 35.93
0.05 20.73 22.07 25.61 29.24 32.96 36.68 40.41
0.06 25.61 26.95 30.49 34.1 37.78 41.46 45.14
0.07 30.77 32.11 35.65 39.23 42.87 46.5 50.14
0.08 36.23 37.57 41.11 44.64 48.24 51.83 55.42
0.09 42 43.35 46.87 50.37 53.93 57.47 61
0.1 48.11 49.46 52.96 56.42 59.93 63.42 66.91
0.11 54.58 55.92 59.41 62.82 66.28 69.72 73.15
0.12 61.43 62.76 66.23 69.58 73 76.39 79.76
0.13 68.68 70 73.44 76.74 80.11 83.44 86.75
0.14 76.36 77.68 81.07 84.32 87.63 90.9 94.16
0.15 84.49 85.8 89.16 92.33 95.59 98.81 102
0.16 93.12 94.41 97.72 100.82 104.02 107.18 110.31
0.17 102.27 103.54 106.79 109.82 112.96 116.06 119.12
0.18 111.97 113.23 116.41 119.35 122.43 125.46 128.46
0.19 122.26 123.5 126.61 129.45 132.47 135.44 138.37
0.2 133.19 134.4 137.42 140.17 143.12 146.03 148.89
Argon (Ar) — Ross et al. (1986) (273 K isotherm; molar volume → pressure)
Vₘ [cm³/mol] P [GPa] (273 K)
19 1.6
18 2.1
17 2.8
16 3.8
15 5.3
14 7.5
13 10.7
12 15.5
11 22.9
10 34.7
9 54
8 86.8
7 145.3
6 256
5 484.1
4.5 689.2
Lead (Pb) — Strässle et al. (2014) (temperature-dependent parameters)

a₀(T), B(T), B′(T) are linearly interpolated in T, then the Vinet EOS is evaluated.

Bulk-modulus table

T [K] B [GPa] B′
0 48.3298 5.4511
20 48.2387 5.4542
40 47.9462 5.4644
60 47.5019 5.4801
80 47 5.4979
100 46.4875 5.5165
120 45.9743 5.5353
140 45.4578 5.5545
160 44.9356 5.5742
180 44.4073 5.5945
200 43.8743 5.6152
220 43.3386 5.6364
240 42.8019 5.658
260 42.2659 5.6799
280 41.7317 5.7021
300 41.2 5.7245

Ambient lattice-constant table

T [K] a₀ [Å]
0 4.91366
5 4.9137
10 4.91378
15 4.91391
20 4.9141
25 4.91436
30 4.91469
35 4.91508
40 4.91552
45 4.91601
50 4.91654
55 4.9171
60 4.91768
65 4.91828
70 4.9189
75 4.91952
80 4.92014
85 4.92077
90 4.9214
95 4.92203
100 4.92267
105 4.9233
110 4.92394
115 4.92457
120 4.92521
125 4.92585
130 4.9265
135 4.92714
140 4.92779
145 4.92844
150 4.92909
155 4.92975
160 4.93041
165 4.93108
170 4.93174
175 4.93241
180 4.93308
185 4.93376
190 4.93444
195 4.93511
200 4.9358
205 4.93648
210 4.93717
215 4.93785
220 4.93854
225 4.93923
230 4.93993
235 4.94062
240 4.94131
245 4.94201
250 4.9427
255 4.9434
260 4.9441
265 4.9448
270 4.9455
275 4.94619
280 4.94689
285 4.9476
290 4.9483
295 4.949
300 4.9497
305 4.9504
310 4.9511