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Information card for entry 1501464
Preview
| Coordinates | 1501464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Fe2 Mo |
|---|---|
| Calculated formula | Fe2 Mo |
| SMILES | [Mo].[Fe].[Fe] |
| Title of publication | Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system |
| Authors of publication | Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique |
| Journal of publication | Physical Review B |
| Year of publication | 2011 |
| Journal volume | 83 |
| Journal issue | 18 |
| Pages of publication | 184201 |
| a | 4.6594 Å |
| b | 4.6594 Å |
| c | 7.7433 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 145.585 Å3 |
| Number of distinct elements | 2 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501464.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1501464.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501464.cif |
| 20930 | 2011-06-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1501464 via cif-deposit CGI script. |
1501464.cif |
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Users of the data should acknowledge the original authors of the
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