Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sr2Si | COD | 1520913 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3629 | 0.363 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr5Tl3 | ICSD | 652883 | I4/mcm (140) | ✔ | 16 | 178 | 1 | 0.0 | 0.002 | 0.707 | (1;111) | ✗ | 02/02/17 |
| Tl2S | ICSD | 27464 | P6_3/mmc (194) | ✔ | 6 | 64 | 1 | 0.5041 | 0.613 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y | ICSD | 281365 | P2_1/m (11) | ✔ | 2 | 22 | 1 | 0.0 | 0.000 | 0.850 | (1;000) | ✗ | 02/02/17 |
| AgMoH4S4N | ICSD | 236249 | I-4 (82) | ✗ | 11 | 58 | 1 | 1.307 | 1.586 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li3AsO4 | ICSD | 75927 | Pmn2_1 (31) | ✗ | 16 | 76 | 1 | 4.7571 | 4.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaBeSiO4 | ICSD | 86792 | Cm (8) | ✗ | 7 | 42 | 1 | 4.4044 | 4.449 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH5NCl | ICSD | 248875 | Cmc2_1 (36) | ✗ | 16 | 40 | 1 | 6.0688 | 6.228 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Be5Fe | ICSD | 616267 | F-43m (216) | ✗ | 6 | 28 | 1 | 0.0 | 0.000 | 0.556 | ? | ✗ | 15/02/17 |
| HNF2 | ICSD | 404200 | Pca2_1 (29) | ✗ | 16 | 80 | 1 | 5.0387 | 5.072 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbBH4 | COD | 4315654 | C222 (21) | ✗ | 6 | 16 | 1 | 5.3748 | 5.489 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH8N | ICSD | 247614 | Pma2 (28) | ✗ | 20 | 32 | 1 | 4.1825 | 4.883 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li6PBrO5 | ICSD | 421480 | F-43m (216) | ✗ | 13 | 60 | 1 | 5.4171 | 5.417 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ca2Ge | ICSD | 39157 | P6_3mc (186) | ✗ | 6 | 48 | 1 | 0.0 | 0.058 | 0.162 | (0;000) | ✔ | 15/02/17 |
| Li2CaHfF8 | ICSD | 95248 | I-4 (82) | ✗ | 12 | 84 | 1 | 7.2455 | 7.291 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H2CClF | COD | 2013049 | P2_1 (4) | ✗ | 10 | 40 | 1 | 6.0043 | 6.037 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H4CN2O | COD | 1008785 | P-42_1m (113) | ✗ | 16 | 48 | 1 | 5.1508 | 5.151 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH6CN3F4 | ICSD | 202434 | R3m (160) | ✗ | 15 | 56 | 1 | 6.1298 | 6.130 | 0.000 | (0;000) | ✗ | 15/02/17 |
| GeH3Cl | ICSD | 62109 | Cmc2_1 (36) | ✗ | 10 | 28 | 1 | 4.9989 | 5.116 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrHClO | ICSD | 407719 | P6_3mc (186) | ✗ | 8 | 48 | 1 | 5.0288 | 5.047 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NClO4 | COD | 9015836 | F-43m (216) | ✗ | 6 | 36 | 1 | 0.0 | 0.003 | 0.207 | (0;000) | ✔ | 15/02/17 |
| TlClO4 | COD | 1010570 | F-43m (216) | ✗ | 6 | 44 | 1 | 1.3448 | 1.345 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaV(OF)2 | COD | 1000373 | P2_1 (4) | ✗ | 12 | 96 | 1 | 2.0236 | 2.570 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Na3Mo(OF)3 | ICSD | 97452 | R3 (146) | ✗ | 10 | 80 | 1 | 3.9124 | 4.098 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H2SeO3 | ICSD | 427359 | P1 (1) | ✗ | 12 | 52 | 1 | 4.457 | 4.683 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaPH3NO3 | ICSD | 16608 | P6_3 (173) | ✗ | 18 | 80 | 1 | 5.2274 | 5.227 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrH4O3 | ICSD | 15366 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.5819 | 4.590 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Na3VH6O7 | ICSD | 62533 | R3 (146) | ✗ | 17 | 88 | 1 | 4.1033 | 4.120 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K3TaO8 | ICSD | 73104 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0859 | 3.238 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li3VO4 | COD | 1528868 | Pmn2_1 (31) | ✗ | 16 | 92 | 1 | 4.0483 | 4.077 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiMgP | ICSD | 44807 | F-43m (216) | ✗ | 3 | 18 | 1 | 0.0 | 1.175 | 0.126 | (0;000) | ✔ | 15/02/17 |
| N2 | COD | 9012482 | P2_13 (198) | ✗ | 4 | 20 | 1 | 0.0 | 0.000 | 0.442 | ? | ✗ | 15/02/17 |
| SiO2 | ICSD | 171573 | P3_221 (154) | ✗ | 9 | 48 | 1 | 0.0 | 0.004 | 0.623 | ? | ✗ | 15/02/17 |
| TaSe2 | ICSD | 24318 | R3m (160) | ✗ | 6 | 50 | 1 | 0.0 | 0.012 | 0.796 | ? | ✗ | 15/02/17 |
| Ca5Ag3 | COD | 1509954 | I4/mcm (140) | ✔ | 16 | 166 | 1 | 0.0 | 0.001 | 0.709 | (1;000) | ✗ | 16/03/17 |
| Cs2NbAgSe4 | ICSD | 50464 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.8633 | 2.014 | 0.000 | (0;000) | ✗ | 16/03/17 |
| CsAg(NO3)2 | COD | 2008257 | C2/m (12) | ✔ | 20 | 132 | 1 | 2.7484 | 2.769 | 0.000 | (0;000) | ✗ | 16/03/17 |
| K2VAgSe4 | ICSD | 50461 | Fddd (70) | ✔ | 16 | 132 | 1 | 0.9678 | 1.066 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Rb2VAgS4 | ICSD | 66841 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.3525 | 1.493 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ba7Al4Ge9 | ICSD | 417660 | Fmm2 (42) | ✗ | 20 | 118 | 1 | 0.0 | 0.011 | 0.418 | ? | ✗ | 16/03/17 |
| Cs2NaAlF6 | ICSD | 200305 | R-3m (166) | ✔ | 20 | 144 | 1 | 7.1303 | 7.161 | 0.000 | (0;000) | ✗ | 16/03/17 |
| CsAlTe3 | ICSD | 300180 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 1.2933 | 1.511 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Sr2Ti2As2OF2 | ICSD | 167013 | I4/mmm (139) | ✔ | 9 | 74 | 1 | 0.0 | 0.012 | 0.752 | (0;111) | ✗ | 21/03/17 |
| Ba3(LiAs)4 | COD | 2008761 | Immm (71) | ✔ | 11 | 62 | 1 | 0.0 | 0.002 | 0.021 | (0;000) | ✗ | 21/03/17 |
| Ca2BiAsO6 | ICSD | 91475 | Cmc2_1 (36) | ✗ | 20 | 152 | 1 | 3.0653 | 3.083 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ca3AsN | COD | 1005008 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.8756 | 0.876 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Li | ICSD | 109012 | I-43d (220) | ✗ | 8 | 24 | 1 | 0.0 | 0.000 | 0.448 | ? | ✗ | 15/02/17 |
| KAs | COD | 8100816 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.7419 | 0.743 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaCl2 | ICSD | 2190 | P-62m (189) | ✗ | 9 | 72 | 1 | 4.5187 | 4.519 | 0.000 | (0;000) | ✗ | 21/03/17 |
| AsS | COD | 4343657 | Cmc2_1 (36) | ✗ | 12 | 66 | 1 | 0.0 | 0.000 | 0.732 | ? | ✗ | 21/03/17 |