Crystallography Open Database
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Result: there are 17 entries in the selection
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Searching journal of publication like 'Journal of Chemical Theory and Computation' volume of publication is 14
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1548819 | CIF | O2 V | P 42/m n m | 4.5546; 4.5546; 2.8528 90; 90; 90 | 59.18 | Zhao, Qing; Kulik, Heather J. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U Journal of Chemical Theory and Computation, 2018, 14, 670-683 |
| 1548820 | CIF | Mo O2 | P 42/m n m | 4.8473; 4.8473; 2.8136 90; 90; 90 | 66.109 | Zhao, Qing; Kulik, Heather J. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U Journal of Chemical Theory and Computation, 2018, 14, 670-683 |
| 1548821 | CIF | Nb O2 | P 42/m n m | 4.8463; 4.8463; 3.0315 90; 90; 90 | 71.2 | Zhao, Qing; Kulik, Heather J. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U Journal of Chemical Theory and Computation, 2018, 14, 670-683 |
| 1548822 | CIF | C Mn O3 | R -3 c :H | 4.773; 4.773; 15.642 90; 90; 120 | 308.61 | Zhao, Qing; Kulik, Heather J. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U Journal of Chemical Theory and Computation, 2018, 14, 670-683 |
| 1548823 | CIF | C Ni O3 | R -3 c :H | 4.6117; 4.6117; 14.735 90; 90; 120 | 271.4 | Zhao, Qing; Kulik, Heather J. Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U Journal of Chemical Theory and Computation, 2018, 14, 670-683 |
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