Original determinations
Parameters measured or fitted in the source paper (excludes cited values). One row per paper — expand to see every matching EOS record.
167 papers · 581 EOS records
1995 2 EOS records Calculation models of structures and physical properties of CaSiO3, CaMgSi2O6, and Ca2BaSi3O9 crystals. 10.2465/minerj.17.290
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Davemaoite |
|
— | 47.34 ų Unit cell |
247 | 5.090 | unknown | — | Original | ||||||
| Why this differs from similar rows: From Table 6 static lattice-energy WMIN calculation (K0=0.247 TPa); sibling row 1287 is from Table 7's separate pressure-dependence WMIN calculation (K0=0.245 TPa). | ||||||||||||||
| Davemaoite |
|
— | — | 245 | — | unknown | — | Original | ||||||
| Why this differs from similar rows: From Table 7 pressure-dependence WMIN calculation (K0=0.245 TPa), distinct from the Table 6 static lattice-energy calculation (K0=0.247 TPa) in sibling row 1283. | ||||||||||||||
1994 2 EOS records Thermoelasticity of CaSiO3 perovskite and implications for the lower mantle 10.1029/94gl00976
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Davemaoite |
|
300 K | 45.83 ų Unit cell |
280 | 4 | second-order Birch-Murnaghan | — | Original | ||||||
| Davemaoite |
|
300 K | 27.59 cm³/mol Molar |
281 | 4 | Birch-Murnaghan (order unspecified) | — | Original |
1994 4 EOS records Comparison between the lattice dynamics and molecular dynamics methods: Calculation results for MgSiO3 perovs… 10.1029/94gl01370
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bridgmanite |
|
500 K | 24.68 cm³/mol Molar |
237 | — | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: Lattice-dynamics (LD) quasi-harmonic simulation result at 500 K/0 GPa; sibling row uses a molecular-dynamics (MD) simulation instead, giving a slightly different K_T. | ||||||||||||||
| Bridgmanite |
|
500 K | 24.7 cm³/mol Molar |
236 | — | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: Molecular-dynamics (MD) simulation (with Wigner-Kirkwood quantum corrections) at 500 K/0 GPa; sibling row uses a lattice-dynamics (LD) simulation instead. | ||||||||||||||
| Bridgmanite |
|
1000 K | 25.25 cm³/mol Molar |
200 | — | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: Lattice-dynamics (LD) quasi-harmonic simulation result at 1000 K/0 GPa; sibling row uses a molecular-dynamics (MD) simulation instead, giving K_T=208 GPa versus 200 GPa here. | ||||||||||||||
| Bridgmanite |
|
1000 K | 25.19 cm³/mol Molar |
208 | — | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: Molecular-dynamics (MD) simulation (with quantum corrections) at 1000 K/0 GPa; sibling row uses a lattice-dynamics (LD) simulation instead. | ||||||||||||||
1994 2 EOS records Static compression of chondrodite: Implications for water in the upper mantle 10.1029/94gl01592
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| chondrodite |
|
— | 110.88 cm³/mol Molar |
136.200 | 3.700 | third-order Birch-Murnaghan | — | Original | ||||||||||||
| chondrodite (mantle density model, iron… |
|
300 K | 109.18 cm³/mol Molar |
136.200 | 3.700 | Birch-Murnaghan (order unspecified) | — | Original |
1994 8 EOS records Ab initiodetermination of the bulk properties of MgO 10.1103/physrevb.49.8574
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Periclase |
|
— | — | 180 | — | none (not an EOS fit) | — | Original | ||||
| Why this differs from similar rows: Table I, uncorrelated Hartree-Fock result with basis set [8511/8411]; sibling rows use different basis sets and/or add correlation corrections (CS, P86, P91). | ||||||||||||
| Periclase |
|
— | — | 181 | — | none (not an EOS fit) | — | Original | ||||
| Why this differs from similar rows: Table I, uncorrelated Hartree-Fock result with basis set [8511*/8411*] including polarization functions, distinct from the other basis/correlation combinations in the table. | ||||||||||||
| Periclase |
|
— | — | 196 | — | none (not an EOS fit) | — | Original | ||||
| Why this differs from similar rows: Table II, Hartree-Fock plus a posteriori Colle-Salvetti (CS) correlation correction, basis [8511/8411]; sibling rows use different correlation functionals or basis sets. | ||||||||||||
| Periclase |
|
— | — | 212 | — | none (not an EOS fit) | — | Original | ||||
| Why this differs from similar rows: Table II, Hartree-Fock plus a posteriori Perdew 1986 (P86) correlation correction, basis [8511/8411]; sibling rows use different correlation functionals or basis sets. | ||||||||||||
| Periclase |
|
— | — | 212 | — | none (not an EOS fit) | — | Original | ||||
| Why this differs from similar rows: Table II, Hartree-Fock plus a posteriori Perdew 1991 (P91) correlation correction, basis [8511/8411]; sibling rows use different correlation functionals or basis sets. | ||||||||||||
| Periclase |
|
— | — | 205 | — | none (not an EOS fit) | — | Original | ||||
| Why this differs from similar rows: Table III, Hartree-Fock plus CS correlation correction with the polarized basis [8511*/8411*]; sibling rows use different correlation functionals or the unpolarized basis. | ||||||||||||
| Periclase |
|
— | — | 204 | — | none (not an EOS fit) | — | Original | ||||
| Why this differs from similar rows: Table III, Hartree-Fock plus P86 correlation correction with the polarized basis [8511*/8411*]; sibling rows use different correlation functionals or the unpolarized basis. | ||||||||||||
| Periclase |
|
— | — | 205 | — | none (not an EOS fit) | — | Original | ||||
| Why this differs from similar rows: Table III, Hartree-Fock plus P91 correlation correction with the polarized basis [8511*/8411*]; sibling rows use different correlation functionals or the unpolarized basis. | ||||||||||||
1993 2 EOS records Equation of state and high‐pressure phase transitions of stishovite (SiO2): Ab initio (periodic Hartree‐Fock)… 10.1029/93jb00783
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Stishovite |
|
— | 46.2 ų Unit cell |
328 | 4 | third-order Birch-Murnaghan | — | Original | ||||
| SiO2 modified-fluorite |
|
— | 42.9 ų Unit cell |
387 | 4.400 | third-order Birch-Murnaghan | — | Original |
1993 3 EOS records Equation of state, elastic properties, and stability of CaSiO3 perovskite: First principles (periodic Hartree… 10.1029/93jb02175
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Davemaoite |
|
— | 44.96 ų/f.u. Formula unit |
301 | 4 | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: Uses the more complete extended basis set B (8-31G* Si, 8-51G O) in the periodic Hartree-Fock fit; sibling row uses a smaller basis set described as inadequate. | ||||||||||||||
| Davemaoite |
|
— | 44.87 ų Unit cell |
290 | 5.600 | finite strain (unspecified form) | — | Original | ||||||
| Davemaoite |
|
— | 43.96 ų Unit cell |
412 | — | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: Uses smaller basis set A (6-21G), explicitly described by authors as inadequate/unreliable, giving K0 45% too high and V0 about 4% too low vs the basis-B result. | ||||||||||||||
1993 2 EOS records Ab initiomolecular dynamics with variable cell shape: Application toMgSiO3 10.1103/physrevlett.70.3947
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bridgmanite |
|
— | — | 259 | 3.900 | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: Ab initio calculation for the Pbnm (orthorhombic) phase (K0=259, K'0=3.9); sibling row is for a distinct hypothetical cubic phase of the same composition (K0=258, K'0=4.0). | ||||||||||||||
| Bridgmanite |
|
— | — | 258 | 4 | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: Ab initio calculation for a hypothetical cubic phase (K0=258, K'0=4.0); sibling row is for the Pbnm (orthorhombic) phase of the same composition (K0=259, K'0=3.9). | ||||||||||||||
1993 1 EOS record Computer Simulation of the Structural and Physical Properties of Minerals in the Earth's Deep-Interior. 10.5940/jcrsj.35.190
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bridgmanite |
|
— | 24.56 cm³/mol Molar |
250 | — | unknown | — | Original |
1992 3 EOS records Thermoelasticity of Silicate Perovskite and Magnesiowüstite and Stratification of the Earth's Mantle 10.1126/science.257.5073.10…
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bridgmanite |
|
— | 24.56 cm³/mol Molar |
263 | 3.900 | Birch-Murnaghan (order unspecified) | — | Original | ||||||||
| Bridgmanite | (Mg,Fe)SiO3 | — | 24.46 Molar |
— | — | Birch-Murnaghan (order unspecified) | — | Original | ||||||||
| Ferropericlase |
|
— | 11.25 Molar |
157 | 4 | Birch-Murnaghan (order unspecified) | — | Original |
1991 3 EOS records Effect of pressure, temperature, and composition on lattice parameters and density of (Fe,Mg)SiO3‐perovskites… 10.1029/91jb00176
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bridgmanite |
|
298 K | 162.49 ų Unit cell |
261 | 4 | Birch-Murnaghan (order unspecified) | — | Original | ||||||||
| Bridgmanite |
|
298 K | 162.79 ų Unit cell |
261 | 4 | Birch-Murnaghan (order unspecified) | gold (Anderson et al., 1989); ruby R1; ne… | Original | ||||||||
| Bridgmanite |
|
298 K | 163.53 ų Unit cell |
261 | 4 | Birch-Murnaghan (order unspecified) | — | Original |
1991 3 EOS records Modified potential-induced-breathing model of potentials between close-shell ions 10.1103/physrevb.44.2495
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Periclase |
|
300 K | 18.65 ų Unknown basis |
180 | 4.040 | Birch-Murnaghan (order unspecified) | — | Original | ||||
| Periclase |
|
300 K | 18.07 ų Unknown basis |
175 | 4.200 | unknown | — | Original | ||||
| Stishovite |
|
— | 45.54 ų Unit cell |
378 | 6.400 | unknown | — | Original |
1991 2 EOS records Phase Transition and Thermal Expansion of MgSiO 3 Perovskite 10.1126/science.251.4992.410
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bridgmanite |
|
300 K | 24.725 cm³ Molar |
246.500 | 4 | unknown | — | Original | ||||||
| Bridgmanite |
|
300 K | — | — | — | unknown | — | Original |
1990 6 EOS records Calculated elastic and thermal properties of MGO at high pressures and temperatures 10.1029/jb095ib05p07055
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Periclase |
|
— | 18.4 ų Unit cell |
189.400 | 4.070 | fourth-order Birch-Murnaghan | — | Original | ||||
| Periclase |
|
— | 18.59 ų Unit cell |
184.600 | 4.090 | fourth-order Birch-Murnaghan | — | Original | ||||
| Periclase |
|
300 K | 18.66 ų Unit cell |
180.100 | 4.150 | fourth-order Birch-Murnaghan | — | Original | ||||
| Periclase |
|
300 K | — | 183.100 | 3.950 | third-order Birch-Murnaghan | — | Original | ||||
| Periclase |
|
1300 K | 19.33 ų Unit cell |
150.400 | 4.460 | fourth-order Birch-Murnaghan | — | Original | ||||
| Periclase |
|
2000 K | 19.97 ų Unit cell |
127.600 | 4.740 | fourth-order Birch-Murnaghan | — | Original |
1990 3 EOS records Elasticity, shear‐mode softening and high‐pressure polymorphism of wüstite (Fe1‐xO) 10.1029/jb095ib13p21671
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Wüstite |
|
— | — | 154.900 | 4.900 | third-order Birch-Murnaghan | adiabatic | Original | ||||
| Why this differs from similar rows: Reports isothermal pressure derivative (dKS/dP)_T=4.90 from ultrasonic Cij(P) data, used with Birch-Murnaghan extrapolation; sibling row reports isentropic derivative instead. | ||||||||||||
| Wüstite |
|
— | — | 152.300 | 4.920 | third-order Birch-Murnaghan | — | Original | ||||
| Wüstite |
|
— | — | 154.900 | 4.840 | third-order Birch-Murnaghan | adiabatic | Original | ||||
| Why this differs from similar rows: Reports the isentropic pressure derivative (dKS/dP)_S = 4.84, derived from the isothermal value (4.90, sibling row) via a thermodynamic identity, used to construct the Hugoniot. | ||||||||||||
1990 1 EOS record Thermodynamic Functions and Properties of MgO at High Compression and High Temperature 10.1063/1.555873
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Periclase |
|
300 K | — | 162 | — | Birch-Murnaghan (order unspecified) | — | Original |
1990 1 EOS record An equation of state applied to 50 solids. II 10.1088/0953-8984/2/39/003
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Periclase |
|
25 °C | — | 148.708 | 5.519 | unknown | — | Original |
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