▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AgNO2 | ICSD | 26750 | Imm2 (44) | ✗ | 4 | 28 | 3 | 1.5341 | 1.989 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlI | ICSD | 26761 | Ccmm (63) | ✔ | 4 | 40 | 2 | 1.4715 | 1.656 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNO2 | ICSD | 26764 | Cm (8) | ✗ | 4 | 26 | 1 | 2.3753 | 2.619 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cu3As | ICSD | 26776 | P-3c1 (165) | ✔ | 24 | 228 | 3 | 0.0 | 0.003 | 0.300 | (1;000) | ✗ | 04/08/17 |
K3MnCrO8 | ICSD | 26803 | R3m (160) | ✗ | 13 | 104 | 1 | 0.6011 | 0.635 | 0.000 | (0;000) | ✗ | 22/03/17 |
CoGeO3 | ICSD | 26814 | C2/c (15) | ✔ | 20 | 156 | 3 | 0.0 | 0.005 | 0.333 | (1;000) | ✗ | 02/02/17 |
NaHO | ICSD | 26833 | P2_1/m (11) | ✔ | 6 | 32 | 1 | 1.8213 | 1.821 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdHgS4 | ICSD | 26857 | I-4 (82) | ✗ | 6 | 48 | 1 | 0.0 | 0.009 | 0.786 | ? | ✗ | 22/03/17 |
La2O3 | ICSD | 26864 | P321 (150) | ✗ | 5 | 24 | 3 | 0.0 | 0.004 | 0.297 | (1;000) | ✔ | 06/10/16 |
Na3Bi | ICSD | 26881 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.029 | 0.008 | (1;000) | ✗ | 06/10/16 |
K3Bi | ICSD | 26885 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.006 | 0.037 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 26890 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.4923 | 7.703 | 0.000 | (0;000) | ✗ | 06/10/16 |
BAsO4 | ICSD | 26891 | I-4 (82) | ✗ | 6 | 32 | 3 | 5.3758 | 5.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 26924 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4207 | 1.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
PH2NO2 | ICSD | 26929 | Cmme (67) | ✔ | 12 | 48 | 1 | 0.0 | 0.006 | 0.301 | (0;000) | ✗ | 27/01/17 |
K2TiCl6 | ICSD | 26934 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.069 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiB | ICSD | 26937 | Ccmm (63) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.399 | (0;110) | ✗ | 06/10/16 |
CO | ICSD | 26962 | P2_13 (198) | ✗ | 8 | 40 | 1 | 6.4576 | 6.458 | 0.000 | (0;000) | ✗ | 06/10/16 |
KIO4 | ICSD | 26964 | I4_1/a (88) | ✔ | 12 | 80 | 3 | 0.0835 | 0.084 | 0.000 | (0;000) | ✗ | 02/02/17 |
V2ZnO6 | ICSD | 26998 | C2 (5) | ✗ | 9 | 74 | 3 | 2.1247 | 2.204 | 0.000 | (0;000) | ✗ | 06/10/16 |
VBrO | ICSD | 27010 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.005 | 0.462 | (0;001) | ✗ | 27/01/17 |
Zr3O | ICSD | 27023 | R-3c (167) | ✔ | 8 | 36 | 3 | 0.0 | 0.010 | 0.240 | (1;000) | ✗ | 27/01/17 |
Zr2CuS4 | ICSD | 27027 | Fd-3m (227) | ✔ | 14 | 86 | 3 | 0.0 | 0.000 | 0.924 | (0;000) | ✗ | 02/02/17 |
SrSnO3 | ICSD | 27047 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.766 | 2.562 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na3CrF6 | ICSD | 27070 | P2_1/c (14) | ✔ | 20 | 166 | 1 | 0.0 | 0.000 | 0.617 | (0;000) | ✗ | 02/02/17 |
Ba2PbO4 | ICSD | 27113 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 1.7811 | 2.445 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2SnO4 | ICSD | 27115 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.9448 | 3.211 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mg3Al8FeSi6 | ICSD | 27140 | P-62m (189) | ✗ | 18 | 86 | 3 | 0.0 | 0.000 | 0.543 | ? | ✗ | 16/03/17 |
NiP2 | ICSD | 27160 | C2/c (15) | ✔ | 6 | 40 | 3 | 0.5384 | 0.618 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg2PN3 | ICSD | 27229 | Cmc2_1 (36) | ✗ | 12 | 80 | 3 | 3.1755 | 3.176 | 0.000 | (0;000) | ✗ | 06/10/16 |
BNCl2 | ICSD | 27255 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3231 | 2.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdI2 | ICSD | 27291 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.9604 | 2.172 | 0.000 | (0;000) | ✗ | 22/03/17 |
CdI2 | ICSD | 27292 | P3m1 (156) | ✗ | 18 | 156 | 1 | 0.0 | 0.017 | 0.607 | ? | ✗ | 22/03/17 |
VMoO5 | ICSD | 27315 | P4/n (85) | ✔ | 14 | 114 | 3 | 0.0 | 0.000 | 0.454 | (1;001) | ✗ | 27/01/17 |
KRb2RhF6 | ICSD | 27339 | Fm-3m (225) | ✔ | 10 | 86 | 3 | 2.069 | 2.069 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaTl2RhF6 | ICSD | 27340 | Fm-3m (225) | ✔ | 10 | 94 | 1 | 1.6166 | 1.617 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2NaRhF6 | ICSD | 27341 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.8935 | 1.894 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NaRhF6 | ICSD | 27342 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.876 | 1.876 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2TlVF6 | ICSD | 27343 | Fm-3m (225) | ✔ | 10 | 86 | 3 | 0.0 | 0.000 | 0.144 | (0;000) | ✗ | 27/01/17 |
Cs2KVF6 | ICSD | 27344 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.464 | (0;000) | ✗ | 27/01/17 |
KRb2VF6 | ICSD | 27345 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.583 | (0;000) | ✗ | 27/01/17 |
Rb2NaVF6 | ICSD | 27346 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.478 | (0;000) | ✗ | 27/01/17 |
Na3VF6 | ICSD | 27347 | P2_1/c (14) | ✔ | 20 | 164 | 1 | 0.0 | 0.003 | 0.034 | (0;000) | ✗ | 02/02/17 |
KCN | ICSD | 27350 | Cm (8) | ✗ | 3 | 18 | 1 | 4.9473 | 5.716 | 0.000 | (0;000) | ✗ | 06/10/16 |
KCN | ICSD | 27351 | Cm (8) | ✗ | 3 | 18 | 1 | 4.6894 | 5.539 | 0.000 | (0;000) | ✗ | 06/10/16 |
KCN | ICSD | 27352 | Cm (8) | ✗ | 3 | 18 | 1 | 5.6021 | 6.193 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrBrN | ICSD | 27393 | Pmmn (59) | ✔ | 6 | 32 | 2 | 1.224 | 1.224 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiIN | ICSD | 27394 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.0301 | 0.030 | 0.000 | (0;000) | ✗ | 30/01/17 |
TiBrN | ICSD | 27395 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.1946 | 0.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hg3(SeCl)2 | ICSD | 27400 | I2_13 (199) | ✗ | 14 | 124 | 3 | 2.016 | 2.044 | 0.000 | (0;000) | ✗ | 22/03/17 |
Hg3(TeCl)2 | ICSD | 27401 | I2_13 (199) | ✗ | 14 | 124 | 3 | 2.0054 | 2.047 | 0.000 | (0;000) | ✗ | 22/03/17 |
Hg3(TeBr)2 | ICSD | 27402 | I2_13 (199) | ✗ | 14 | 124 | 3 | 1.8149 | 1.863 | 0.000 | (0;000) | ✗ | 21/03/17 |
SbBr3 | ICSD | 27405 | Pnma (62) | ✔ | 16 | 104 | 1 | 2.8677 | 2.983 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2HgO2 | ICSD | 27409 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 1.7526 | 1.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2HgO2 | ICSD | 27410 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 2.1836 | 2.339 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaCl4F | ICSD | 27413 | I-4 (82) | ✗ | 24 | 192 | 3 | 2.6317 | 2.648 | 0.000 | (0;000) | ✗ | 04/08/17 |
H3I3N2 | ICSD | 27416 | P2_1/m (11) | ✔ | 16 | 68 | 3 | 0.8803 | 1.057 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCaCO3 | ICSD | 27421 | P6_3mc (186) | ✗ | 12 | 84 | 1 | 0.0 | 0.030 | 0.029 | (0;000) | ✔ | 22/03/17 |
Ga2O3 | ICSD | 27431 | R-3c (167) | ✔ | 10 | 88 | 3 | 2.8601 | 3.106 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2P2O7 | ICSD | 27436 | C2/m (12) | ✔ | 11 | 74 | 3 | 0.0 | 0.008 | 0.529 | (0;000) | ✗ | 27/01/17 |
PdBr2 | ICSD | 27443 | C2/c (15) | ✔ | 6 | 64 | 1 | 0.509 | 0.945 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2S | ICSD | 27461 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 1.076 | 1.076 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2S | ICSD | 27463 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 1.3455 | 1.346 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2S | ICSD | 27464 | P6_3/mmc (194) | ✔ | 6 | 64 | 1 | 0.5041 | 0.613 | 0.000 | (0;000) | ✗ | 02/02/17 |
KLiS | ICSD | 27465 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 1.3014 | 1.301 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiPO4 | ICSD | 27469 | P2_1 (4) | ✗ | 12 | 68 | 3 | 2.0944 | 2.399 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2PdF6 | ICSD | 27486 | P-3m1 (164) | ✔ | 9 | 78 | 1 | 2.4797 | 2.491 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba3SrTa2O9 | ICSD | 27496 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 2.018 | 2.069 | 0.000 | (0;000) | ✗ | 02/02/17 |
Co | ICSD | 27504 | Fd-3m (227) | ✔ | 6 | 102 | 3 | 0.0 | 0.000 | 0.681 | (0;000) | ✗ | 27/01/17 |
Cr2Co | ICSD | 27507 | Fd-3m (227) | ✔ | 6 | 90 | 3 | 0.0 | 0.000 | 0.525 | (0;000) | ✗ | 27/01/17 |
CsCoCl3 | ICSD | 27511 | P6_3/mmc (194) | ✔ | 10 | 94 | 1 | 0.0 | 0.000 | 0.591 | (0;000) | ✗ | 02/02/17 |
Os | ICSD | 27568 | P2_1/c (14) | ✔ | 8 | 128 | 1 | 0.0 | 0.001 | 0.042 | (1;001) | ✗ | 02/02/17 |
Sb2O3 | ICSD | 27595 | Pccn (56) | ✔ | 20 | 112 | 2 | 0.0 | 0.129 | 1.000 | (0;000) | ✗ | 02/02/17 |
K2Zr | ICSD | 27670 | P6_3/mmc (194) | ✔ | 6 | 44 | 1 | 0.0 | 0.000 | 0.174 | (1;000) | ✗ | 02/02/17 |
GeI2 | ICSD | 27674 | P-6m2 (187) | ✗ | 3 | 18 | 3 | 0.7466 | 0.838 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgCNO | ICSD | 27678 | Cmmm (65) | ✔ | 4 | 26 | 1 | 0.0 | 0.106 | 0.264 | (0;110) | ✗ | 27/01/17 |
KCrF3 | ICSD | 27690 | P4/mmm (123) | ✔ | 5 | 44 | 3 | 0.0 | 0.036 | 0.796 | (0;000) | ✗ | 27/01/17 |
H4BrN | ICSD | 27724 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.0741 | 3.074 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdSb6(S2I)4 | ICSD | 27733 | P-1 (2) | ✔ | 19 | 118 | 1 | 1.4312 | 1.431 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiHO2 | ICSD | 27761 | C2/m (12) | ✔ | 8 | 32 | 1 | 0.0 | 0.008 | 0.718 | (1;111) | ✗ | 27/01/17 |
CaSnO3 | ICSD | 27777 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.845 | (1;111) | ✗ | 27/01/17 |
PCl3 | ICSD | 27798 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.8453 | 3.871 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pt3O4 | ICSD | 27836 | Im-3m (229) | ✔ | 7 | 54 | 3 | 0.0 | 0.000 | 0.753 | (1;111) | ✗ | 27/01/17 |
BF2 | ICSD | 27867 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
NO | ICSD | 27871 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.002 | 0.048 | (0;010) | ✔ | 27/01/17 |
KMgCl3 | ICSD | 27930 | Pnma (62) | ✔ | 20 | 160 | 3 | 4.6633 | 4.663 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2SO4 | ICSD | 27955 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.0 | 0.000 | 0.521 | (1;000) | ✗ | 27/01/17 |
K2SO4 | ICSD | 27956 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.0 | 0.010 | 0.073 | (0;000) | ✗ | 02/02/17 |
KAl(MoO4)2 | ICSD | 28018 | P-3m1 (164) | ✔ | 12 | 88 | 2 | 3.7424 | 3.742 | 0.000 | (0;000) | ✗ | 05/01/17 |
KSc(MoO4)2 | ICSD | 28019 | P-3m1 (164) | ✔ | 12 | 96 | 3 | 3.0812 | 3.081 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoS2Cl3 | ICSD | 28062 | P2_1/c (14) | ✔ | 24 | 188 | 1 | 1.3573 | 1.390 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsSnCl3 | ICSD | 28082 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.2771 | 0.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ni(HO)2 | ICSD | 28101 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.031 | 0.501 | (0;000) | ✗ | 27/01/17 |
LiGeBO4 | ICSD | 28106 | Fmm2 (42) | ✗ | 7 | 34 | 3 | 1.2123 | 1.489 | 0.000 | (0;000) | ✗ | 15/02/17 |
RuBr3 | ICSD | 28119 | Cm2m (38) | ✗ | 8 | 74 | 1 | 0.0 | 0.064 | 0.330 | (0;000) | ✔ | 06/10/16 |
NaVCdO4 | ICSD | 28120 | Cmcm (63) | ✔ | 14 | 116 | 3 | 2.1323 | 2.380 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCaVO4 | ICSD | 28121 | Cmcm (63) | ✔ | 14 | 112 | 1 | 4.1787 | 4.266 | 0.000 | (0;000) | ✗ | 27/01/17 |
VNCl4 | ICSD | 28128 | P-1 (2) | ✔ | 12 | 92 | 1 | 1.1219 | 1.234 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2PCl | ICSD | 28134 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9165 | 0.956 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaNbO3 | ICSD | 28152 | R3c (161) | ✗ | 10 | 80 | 3 | 3.6866 | 3.714 | 0.000 | (0;000) | ✗ | 06/10/16 |