▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Na2CdCl4 | ICSD | 69344 | Pbam (55) | ✔ | 14 | 116 | 1 | 3.5843 | 3.600 | 0.000 | (0;000) | ✗ | 02/02/17 |
KClO4 | COD | 1010568 | F-43m (216) | ✗ | 6 | 40 | 1 | 1.6538 | 1.654 | 0.000 | (0;000) | ✗ | 15/02/17 |
CsCu2I3 | ICSD | 150305 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.9026 | 1.903 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgHgSI | ICSD | 54796 | P2_12_12_1 (19) | ✗ | 16 | 144 | 3 | 1.4581 | 1.462 | 0.000 | (0;000) | ✗ | 16/03/17 |
Ta(ICl)2 | ICSD | 69688 | Immm (71) | ✔ | 10 | 82 | 1 | 0.9886 | 0.996 | 0.000 | (0;000) | ✗ | 02/02/17 |
N2 | ICSD | 40936 | R-3c (167) | ✔ | 16 | 80 | 1 | 5.8672 | 5.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3ScF6 | ICSD | 400723 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 7.041 | 7.074 | 0.000 | (0;000) | ✗ | 02/02/17 |
PCl2OF | ICSD | 416167 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 5.5247 | 5.615 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrHfS3 | ICSD | 638863 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.4451 | 1.445 | 0.000 | (0;000) | ✗ | 02/02/17 |
KHgSb | ICSD | 56201 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.2395 | 0.325 | 0.000 | (1;110) | ✗ | 02/02/17 |
K2SnSe3 | ICSD | 300234 | P-1 (2) | ✔ | 12 | 100 | 1 | 1.7684 | 1.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li3AsO4 | ICSD | 75927 | Pmn2_1 (31) | ✗ | 16 | 76 | 1 | 4.7571 | 4.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
TlGeI3 | ICSD | 201144 | Pnma (62) | ✔ | 20 | 152 | 2 | 1.6566 | 1.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuCSN | ICSD | 24372 | R3m (160) | ✗ | 4 | 26 | 3 | 2.1878 | 2.361 | 0.000 | (0;000) | ✗ | 15/02/17 |
CsSnI3 | COD | 4117957 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0969 | 0.097 | 0.000 | (1;111) | ✗ | 02/02/17 |
HfTl2Se3 | COD | 7019864 | P2_1/m (11) | ✔ | 12 | 112 | 3 | 0.4025 | 0.553 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbLiF2 | COD | 4343819 | C2/c (15) | ✔ | 16 | 104 | 1 | 6.05 | 6.068 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SO3 | ICSD | 60762 | P-3m1 (164) | ✔ | 12 | 84 | 1 | 4.983 | 5.165 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2CO2 | ICSD | 151248 | Pna2_1 (33) | ✗ | 20 | 72 | 1 | 4.7471 | 4.747 | 0.000 | (0;000) | ✗ | 15/02/17 |
Mg3Si2H4O9 | COD | 9001639 | P31m (157) | ✗ | 18 | 96 | 2 | 4.6081 | 4.611 | 0.000 | (0;000) | ✗ | 15/02/17 |
NaSc(GeO3)2 | ICSD | 22503 | C2/c (15) | ✔ | 20 | 128 | 3 | 4.0198 | 4.020 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaSb | COD | 9008950 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.6112 | 0.614 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaIO3 | COD | 1530853 | Pnma (62) | ✔ | 20 | 136 | 1 | 3.7298 | 3.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCuO3 | COD | 1530352 | C2/m (12) | ✔ | 20 | 168 | 3 | 1.2247 | 1.263 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na5InS4 | ICSD | 300175 | P2_1/m (11) | ✔ | 20 | 164 | 1 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbGeIO6 | ICSD | 73613 | P312 (149) | ✗ | 9 | 56 | 2 | 3.0426 | 3.244 | 0.000 | (0;000) | ✗ | 15/02/17 |
Na2PS3 | ICSD | 426907 | C2/m (12) | ✔ | 12 | 82 | 1 | 2.7557 | 3.066 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiGa(SiO3)2 | COD | 9013865 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.7408 | 4.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaZrO3 | COD | 1532747 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.4975 | 3.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Zn3O4 | ICSD | 40754 | C2/c (15) | ✔ | 18 | 156 | 3 | 1.5657 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4SnO4 | COD | 4030179 | P-1 (2) | ✔ | 18 | 148 | 1 | 2.2889 | 2.305 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb3Ir | COD | 2310426 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.0978 | 0.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnSiO3 | COD | 2106565 | C2/c (15) | ✔ | 20 | 136 | 3 | 3.6364 | 3.782 | 0.000 | (0;000) | ✗ | 02/02/17 |
KPt2S3 | ICSD | 40062 | R-3m (166) | ✔ | 12 | 94 | 2 | 1.3757 | 1.377 | 0.000 | (0;000) | ✗ | 02/02/17 |
InPb2I5 | ICSD | 151997 | I4/mcm (140) | ✔ | 16 | 152 | 2 | 1.2846 | 1.323 | 0.000 | (0;000) | ✗ | 02/02/17 |
Be4TeO7 | COD | 2106455 | F-43m (216) | ✗ | 12 | 64 | 1 | 1.6716 | 1.672 | 0.000 | (0;000) | ✗ | 15/02/17 |
MgS2O7 | ICSD | 426707 | P-1 (2) | ✔ | 20 | 128 | 3 | 5.9973 | 5.997 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbSO4F | ICSD | 8275 | P-1 (2) | ✔ | 14 | 92 | 1 | 3.4419 | 3.442 | 0.000 | (0;000) | ✗ | 02/02/17 |
HCl | COD | 9016437 | Cmc2_1 (36) | ✗ | 4 | 16 | 1 | 5.8258 | 5.826 | 0.000 | (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 |
Rb3BP2 | COD | 8103471 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6726 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2PbO2 | ICSD | 20701 | Pnma (62) | ✔ | 20 | 112 | 3 | 1.7355 | 1.979 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3Sb2N2O6F7 | ICSD | 200740 | C2/m (12) | ✔ | 20 | 132 | 1 | 2.8769 | 2.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdSiAs2 | ICSD | 609979 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.7925 | 0.794 | 0.000 | (0;000) | ✗ | 15/02/17 |
SrPS3 | ICSD | 405191 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1418 | 3.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(Si3N4)2 | ICSD | 417444 | Imm2 (44) | ✗ | 15 | 74 | 3 | 3.1372 | 3.321 | 0.000 | (0;000) | ✗ | 15/02/17 |
NaIn(SiO3)2 | COD | 9003413 | C2/c (15) | ✔ | 20 | 132 | 3 | 2.9551 | 3.020 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2BeSiO4 | COD | 9013066 | Pc (7) | ✗ | 16 | 76 | 3 | 4.9988 | 4.999 | 0.000 | (0;000) | ✗ | 15/02/17 |
HgPSe3 | ICSD | 639132 | C2/c (15) | ✔ | 20 | 140 | 2 | 1.082 | 1.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2SnS3 | ICSD | 48152 | C2/m (12) | ✔ | 12 | 116 | 1 | 0.6589 | 0.884 | 0.000 | (0;000) | ✗ | 02/02/17 |