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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_32_33_34_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.42374003; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_32_34_35_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -848.87449437; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_31_33_34_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.53814985; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_31_33_34_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.46923905; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_31_32_35_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.39947211; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_31_33_35_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.42949225; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_31_32_33_34-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.27756069; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_29_31_32_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.47020280; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_30_33_34_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.42231074; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_29_33_35_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.24474223; eV |
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- 1387 Ceria
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- 1387 DFT