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Table A.2.
Absolute energies at T = 0 K calculated at the DFT - B3LYP/6-31G(d) level (in Hartree)a.
| Species | E | Species | E | Species | E |
|---|---|---|---|---|---|
| SiO3 | -515.06253 | MgO2 | -350.38592 | Mg2O | -475.40517 |
| Mg2O2 | -550.64069 | MgSiO b | -564.79813 | MgSiO2 | -640.10426 |
| MgSiO3 | -715.34519 | Mg2SiO2 | -840.22978 | Mg2SiO3 | -915.52110 |
| Mg2SiO4b | -990.77914 |
Notes. a Absolute energies are corrected for the zero-point energies; b Calculation is from Goumans & Bromley (2012).
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