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-1177395 | simmate / provider | Li4 Mn3 Co1 Cu2 P6 O24 | 1 | 3.333 |
| mp-698440 | simmate / provider | Si4 B4 H4 C12 N4 Cl8 | 14 | 1.394 |
| mp-642804 | simmate / provider | K1 Cu2 P2 H3 O8 F2 | 12 | 3.172 |
| mp-698033 | simmate / provider | K2 Al4 P4 H16 O24 F2 | 32 | 2.388 |
| mp-24710 | simmate / provider | V4 B4 P8 H20 N4 O36 | 14 | 2.482 |
| mp-1178088 | simmate / provider | Li12 Cr3 Ni1 P4 C4 O28 | 6 | 2.747 |
| mp-696994 | simmate / provider | Zr4 H32 S2 N6 O12 F18 | 12 | 2.585 |
| mp-1234827 | simmate / provider | Mg1 Mn3 V1 Cr2 P6 O24 | 1 | 3.345 |
| mp-766677 | simmate / provider | Li12 V1 Ni3 P4 C4 O28 | 6 | 2.854 |
| mp-1198815 | simmate / provider | B64 P16 H144 Ir8 C64 Cl8 | 14 | 1.486 |
| mp-729824 | simmate / provider | Mn6 Mo4 H68 C44 N32 O10 | 15 | 1.567 |
| mp-776731 | simmate / provider | Na6 Li6 Fe4 P4 C4 O28 | 1 | 2.855 |
