Crystallography Open Database
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Searching journal of publication like 'Journal of chemical theory and computation' volume of publication is 51
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
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, 51, 929-939 |
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