The Materials Project at Berkeley National Labs
Source Website Cite API JSON Python-clientFilter mix-ins: ['Structure', 'Thermodynamics']
Extra filters: ['energy_uncorrected__range', 'band_gap__range', 'is_gap_direct', 'is_magnetic', 'total_magnetization__range', 'is_theoretical']
| ID | Dashboards | Full Formula | Spacegroup | Density |
|---|---|---|---|---|
| mp-1228342 | simmate / provider | Ba2 Sc1 O3 F1 | 107 | 5.323 |
| mp-1227813 | simmate / provider | Ba1 Sc1 O2 F1 | 123 | 5.197 |
| mp-557968 | simmate / provider | Ba16 Ti16 Si16 O72 F16 | 61 | 4.369 |
| mp-1193084 | simmate / provider | Ba2 Y4 Si4 O14 F4 | 2 | 4.472 |
| mp-1196983 | simmate / provider | Ba4 Y6 Si4 O16 F10 | 32 | 4.589 |
| mp-1228505 | simmate / provider | Ba6 Ta2 O2 F18 | 20 | 4.706 |
| mp-1199184 | simmate / provider | Ba12 Ti8 O24 F40 | 135 | 3.859 |
| mp-16915 | simmate / provider | Ba4 Ti4 O4 F16 | 57 | 4.448 |
| mp-561256 | simmate / provider | Ba4 Ti2 O2 F12 | 9 | 4.658 |
| mp-1215049 | simmate / provider | Ba12 V8 O28 F20 | 58 | 4.692 |
| mp-556379 | simmate / provider | Ba4 V4 O4 F16 | 43 | 4.376 |
| mp-671329 | simmate / provider | Ba4 V4 O4 F16 | 1 | 4.376 |