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-697317 | simmate / provider | Rb16 Y8 Ti8 P24 O96 | 4 | 3.539 |
| mp-641754 | simmate / provider | Ca54 Si18 O90 | 2 | 3.058 |
| mp-651710 | simmate / provider | Ce40 Ti22 S88 O12 | 59 | 4.903 |
| mp-1204301 | simmate / provider | Co8 H104 N48 O52 | 14 | 1.614 |
| mp-720461 | simmate / provider | P12 H88 C12 N36 O44 | 14 | 1.495 |
| mp-1229190 | simmate / provider | Ba1 Ca3 Zr16 P24 O96 | 2 | 3.104 |
| mp-1218319 | simmate / provider | Sr1 Ca3 Zr16 P24 O96 | 2 | 3.083 |
| mp-558947 | simmate / provider | Si48 O96 | 129 | 1.662 |
| mp-1247601 | simmate / provider | Sr4 Ca28 Mn28 Cr4 O92 | 1 | 4.302 |
| mp-1218809 | simmate / provider | Sr3 Ca1 Zr16 P24 O96 | 148 | 3.133 |
| mp-554682 | simmate / provider | Si48 O96 | 82 | 1.693 |
| mp-644923 | simmate / provider | Si48 O96 | 119 | 1.699 |