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-1197738 | simmate / provider | Cu8 H96 C24 S24 Br8 N48 | 96 | 1.776 |
| mp-1234624 | simmate / provider | Mg1 Ti3 Fe2 Co1 P6 O24 | 1 | 3.210 |
| mp-1235003 | simmate / provider | Ba6 Mg1 Sc2 C2 O6 F14 | 12 | 4.178 |
| mp-605006 | simmate / provider | Li8 H64 C16 S16 N8 O40 | 52 | 1.669 |
| mp-540955 | simmate / provider | Lu2 H36 C6 S6 O36 F18 | 176 | 2.158 |
| mp-849523 | simmate / provider | Li6 Mn3 V3 P6 H6 O30 | 1 | 3.125 |
| mp-707312 | simmate / provider | Sr4 H24 C8 S8 N8 O12 | 14 | 1.858 |
| mp-1218622 | simmate / provider | Sr4 Ce1 Sm3 Nb2 Cu4 O20 | 99 | 6.263 |
| mp-1223622 | simmate / provider | K1 Al1 Co3 Si3 H2 O12 | 1 | 3.319 |
| mp-1233500 | simmate / provider | K2 Mg1 Mn2 P6 H2 O20 | 1 | 2.428 |
| mp-774283 | simmate / provider | Re8 H24 Pb4 C4 N8 O40 | 14 | 4.360 |
| mp-1236169 | simmate / provider | K1 Li1 Ni2 H3 Se2 O10 | 1 | 3.470 |
