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-1104285 | simmate / provider | Rb2 Ni2 C4 N4 Cl2 | 139 | 2.665 |
| mp-1227333 | simmate / provider | Ba1 Sr1 Pd1 O2 F2 | 107 | 5.659 |
| mp-1213613 | simmate / provider | Cu12 H24 C12 N24 Cl12 | 33 | 2.477 |
| mp-1235608 | simmate / provider | Sr2 Li1 Cu1 Br1 O2 | 160 | 3.882 |
| mp-722563 | simmate / provider | C8 Se4 N4 Cl4 O8 | 14 | 1.852 |
| mp-706670 | simmate / provider | Al1 Cu1 H28 S2 Cl1 O22 | 2 | 1.807 |
| mp-759855 | simmate / provider | Li3 V3 Fe3 P6 H6 O30 | 1 | 3.117 |
| mp-760163 | simmate / provider | Li2 V2 Fe2 P4 H4 O20 | 2 | 3.117 |
| mp-1199046 | simmate / provider | Ca2 Fe2 B2 P4 H4 O20 | 15 | 3.079 |
| mp-1404407 | simmate / provider | Li1 V1 Fe1 P2 H2 O10 | 1 | 3.116 |
| mp-759013 | simmate / provider | Li2 V2 Cr2 P4 H4 O20 | 2 | 3.112 |
| mp-760055 | simmate / provider | Li3 Mn3 V3 P6 H6 O30 | 1 | 3.099 |