Plotting...
| ▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ni2B | ICSD | 30448 | I4/mcm (140) | ✔ | 6 | 46 | 3 | 0.0 | 0.001 | 0.838 | (0;111) | ✗ | 06/10/16 |
| Be | ICSD | 52706 | P2_12_12 (18) | ✗ | 4 | 16 | 1 | 0.0 | 0.045 | 0.184 | (0;000) | ✔ | 15/02/17 |
| HNF2 | ICSD | 404200 | Pca2_1 (29) | ✗ | 16 | 80 | 1 | 5.0387 | 5.072 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2BeSiO4 | ICSD | 2319 | C222_1 (20) | ✗ | 16 | 76 | 1 | 5.8062 | 5.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
| YPt | ICSD | 649793 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.000 | 0.599 | (1;011) | ✗ | 06/10/16 |
| BeSiN2 | ICSD | 25704 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 5.07 | 5.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K3SbS4 | ICSD | 41895 | I-43m (217) | ✗ | 8 | 56 | 1 | 2.2119 | 2.258 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiGeBO4 | ICSD | 28106 | Fmm2 (42) | ✗ | 7 | 34 | 3 | 1.2123 | 1.489 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiGeBO4 | ICSD | 67535 | I-4 (82) | ✗ | 7 | 34 | 3 | 5.1036 | 5.475 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiBH4 | ICSD | 245569 | P6_3mc (186) | ✗ | 12 | 20 | 1 | 7.2544 | 7.254 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ca(SiCu)2 | ICSD | 619238 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.025 | 0.779 | (0;000) | ✗ | 27/01/17 |
| LiMnSe2 | ICSD | 50817 | P3m1 (156) | ✗ | 4 | 30 | 1 | 0.0 | 0.002 | 0.677 | (1;100) | ✔ | 06/10/16 |
| BH6N | ICSD | 181422 | Cmc2_1 (36) | ✗ | 16 | 28 | 1 | 6.5504 | 6.904 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH6N | ICSD | 237078 | Cmc2_1 (36) | ✗ | 16 | 28 | 1 | 5.397 | 5.563 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ca(CuSn)2 | ICSD | 417717 | C2/m (12) | ✔ | 5 | 60 | 3 | 0.0 | 0.067 | 0.632 | (1;000) | ✗ | 27/01/17 |
| BH8N | ICSD | 247614 | Pma2 (28) | ✗ | 20 | 32 | 1 | 4.1825 | 4.883 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZrCoBi | ICSD | 107120 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.9493 | 1.553 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiMgBi | ICSD | 108112 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.000 | 0.010 | (0;000) | ✔ | 15/02/17 |
| ScNiBi | ICSD | 58824 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.1651 | 0.846 | 0.000 | (0;000) | ✔ | 15/02/17 |
| YNiBi | ICSD | 58826 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.1743 | 0.705 | 0.000 | (0;000) | ✔ | 15/02/17 |
| CaCuF4 | ICSD | 9928 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.620 | (0;000) | ✗ | 27/01/17 |
| K2LiBO3 | ICSD | 60949 | C2 (5) | ✗ | 14 | 84 | 1 | 3.8165 | 3.823 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiSiBO4 | ICSD | 67536 | I-4 (82) | ✗ | 7 | 34 | 1 | 0.715 | 0.715 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BN | ICSD | 20946 | Fmm2 (42) | ✗ | 2 | 8 | 3 | 0.0 | 1.907 | 0.333 | (0;000) | ✔ | 15/02/17 |
| VPt | ICSD | 649822 | Pmmb (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.819 | (0;101) | ✗ | 06/10/16 |
| LiMnTe2 | ICSD | 110773 | P3m1 (156) | ✗ | 4 | 30 | 1 | 0.0 | 0.002 | 0.716 | (1;100) | ✔ | 06/10/16 |
| NbTlBr4O | ICSD | 415203 | C2 (5) | ✗ | 7 | 60 | 1 | 1.1356 | 1.469 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaCuP | ICSD | 49740 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.861 | 0.050 | (0;000) | ✗ | 27/01/17 |
| H4BrN | ICSD | 43300 | P-43m (215) | ✗ | 6 | 16 | 1 | 4.0345 | 4.035 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li10BrN3 | ICSD | 78819 | P-6m2 (187) | ✗ | 14 | 52 | 1 | 1.4385 | 1.798 | 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 |
| LiH3C2O5 | ICSD | 246786 | P1 (1) | ✗ | 11 | 44 | 1 | 3.3618 | 3.471 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiNiN | ICSD | 247028 | P-6m2 (187) | ✗ | 3 | 18 | 3 | 0.0 | 0.000 | 0.971 | (1;100) | ✔ | 06/10/16 |
| HgH4C2(N2Cl)2 | ICSD | 405834 | P1 (1) | ✗ | 13 | 58 | 2 | 2.994 | 3.054 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaF2 | ICSD | 656449 | Pnma (62) | ✔ | 12 | 96 | 1 | 8.4981 | 8.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Hg(CO2)2 | ICSD | 151138 | P2_1 (4) | ✗ | 14 | 88 | 3 | 2.7964 | 2.862 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HC2N3 | ICSD | 240778 | Cmc2_1 (36) | ✗ | 12 | 48 | 3 | 4.418 | 4.856 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Fe7C3 | ICSD | 187139 | P6_3mc (186) | ✗ | 20 | 136 | 3 | 0.0 | 0.000 | 0.545 | ? | ✗ | 15/02/17 |
| YH3(CO2)3 | ICSD | 109739 | R3m (160) | ✗ | 13 | 62 | 3 | 4.1092 | 4.109 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KCaF3 | ICSD | 154074 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 6.2019 | 6.356 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgB(CN)4 | ICSD | 411179 | P-43m (215) | ✗ | 10 | 50 | 3 | 4.2688 | 4.338 | 0.000 | (0;000) | ✗ | 15/02/17 |
| YS | ICSD | 69042 | Fmm2 (42) | ✗ | 4 | 34 | 2 | 0.0 | 0.003 | 0.567 | (0;111) | ✔ | 06/10/16 |
| ZrPt | ICSD | 649884 | Cmcm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.027 | 0.426 | (0;000) | ✗ | 27/01/17 |
| CsCo(CO)4 | ICSD | 31359 | I-4 (82) | ✗ | 10 | 66 | 2 | 3.736 | 3.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiCo(CO)4 | ICSD | 30854 | P-43m (215) | ✗ | 10 | 60 | 3 | 4.0417 | 4.042 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiNiN | ICSD | 411151 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.0 | 0.000 | 0.968 | (1;100) | ✔ | 06/10/16 |
| CaH2F4 | ICSD | 419144 | Fddd (70) | ✔ | 14 | 80 | 1 | 7.8159 | 7.816 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na5LiN2 | ICSD | 92315 | C2 (5) | ✗ | 8 | 58 | 1 | 0.0 | 0.017 | 0.003 | (1;000) | ✔ | 06/10/16 |
| CaPdF4 | ICSD | 32674 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.0496 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaPt2 | ICSD | 105802 | Ccmm (63) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.632 | (1;110) | ✗ | 06/10/16 |