▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LiC2N3 | ICSD | 425113 | P2/c (13) | ✔ | 24 | 104 | 1 | 4.6615 | 4.874 | 0.000 | (0;000) | ✗ | 04/08/17 |
TeOF2 | COD | 1521091 | P2_1 (4) | ✗ | 16 | 104 | 3 | 3.8393 | 3.841 | 0.000 | (0;000) | ✗ | 22/03/17 |
KAlSiO6 | COD | 9009725 | P6_3 (173) | ✗ | 18 | 104 | 3 | 0.0 | 0.041 | 0.008 | (0;000) | ✔ | 15/02/17 |
YAl3(BO3)4 | ICSD | 91962 | R32 (155) | ✗ | 20 | 104 | 3 | 5.4901 | 5.616 | 0.000 | (0;000) | ✗ | 15/02/17 |
ScPPt | ICSD | 417911 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.023 | 0.108 | (1;000) | ✗ | 02/02/17 |
LiYMo3O8 | ICSD | 28526 | P3m1 (156) | ✗ | 13 | 104 | 3 | 0.9313 | 0.931 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiVPO4F | ICSD | 184601 | P-1 (2) | ✔ | 16 | 104 | 3 | 0.0 | 0.004 | 0.701 | (0;000) | ✗ | 22/03/17 |
KBe2BO3F2 | ICSD | 187227 | R-3c (167) | ✔ | 18 | 104 | 1 | 6.2336 | 6.234 | 0.000 | (0;000) | ✗ | 21/03/17 |
HgHOF | ICSD | 8267 | P2_12_12_1 (19) | ✗ | 16 | 104 | 3 | 1.1761 | 1.481 | 0.000 | (0;000) | ✗ | 22/03/17 |
NbSeI | COD | 1008284 | F-43m (216) | ✗ | 12 | 104 | 3 | 0.0 | 0.000 | 0.183 | (1;000) | ✔ | 26/04/17 |
IO2F | COD | 4320644 | P2_12_12_1 (19) | ✗ | 16 | 104 | 3 | 2.7801 | 2.903 | 0.000 | (0;000) | ✗ | 22/03/17 |
Zn2SiO4 | COD | 9007526 | I-42d (122) | ✗ | 14 | 104 | 3 | 2.8884 | 2.888 | 0.000 | (0;000) | ✗ | 15/02/17 |
Li2FeSnS4 | ICSD | 425761 | Pc (7) | ✗ | 16 | 104 | 3 | 0.0 | 0.010 | 0.502 | ? | ✗ | 22/03/17 |
BaSb2F12 | ICSD | 39346 | P1 (1) | ✗ | 15 | 104 | 1 | 0.0 | 6.180 | 1.000 | ? | ✗ | 15/02/17 |
H2SeO3 | ICSD | 31929 | P2_12_12_1 (19) | ✗ | 24 | 104 | 1 | 4.6454 | 4.832 | 0.000 | (0;000) | ✗ | 04/08/17 |
K3MnCrO8 | ICSD | 26803 | R3m (160) | ✗ | 13 | 104 | 1 | 0.6011 | 0.635 | 0.000 | (0;000) | ✗ | 22/03/17 |
CdI2 | ICSD | 42198 | P6_3mc (186) | ✗ | 12 | 104 | 1 | 1.983 | 2.174 | 0.000 | (0;000) | ✗ | 22/03/17 |
C4S5O | COD | 2233890 | Pc (7) | ✗ | 20 | 104 | 1 | 1.6485 | 1.711 | 0.000 | (0;000) | ✗ | 21/03/17 |
LiScMo3O8 | ICSD | 28525 | P3m1 (156) | ✗ | 13 | 104 | 3 | 0.8112 | 0.811 | 0.000 | (0;000) | ✗ | 15/02/17 |
Li6MoN4 | ICSD | 66095 | P4_2/nmc (137) | ✔ | 22 | 104 | 1 | 2.6915 | 2.731 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnCN2 | COD | 2011885 | I-42d (122) | ✗ | 16 | 104 | 3 | 3.5423 | 3.901 | 0.000 | (0;000) | ✗ | 22/03/17 |
AlAs2 | ICSD | 28673 | Ia3 (206) | ✔ | 24 | 104 | 3 | 0.0 | 0.003 | 0.763 | (0;111) | ✗ | 04/08/17 |
RbSbS2 | COD | 1530127 | P1 (1) | ✗ | 16 | 104 | 1 | 1.8665 | 1.867 | 0.000 | (0;000) | ✗ | 29/03/17 |
Zn(HO)2 | COD | 9015545 | P2_12_12_1 (19) | ✗ | 20 | 104 | 3 | 3.5812 | 3.581 | 0.000 | (0;000) | ✗ | 28/03/17 |
HfSn | COD | 2310242 | P2_13 (198) | ✗ | 8 | 104 | 3 | 0.0 | 0.000 | 0.464 | ? | ✗ | 15/02/17 |
As2SO6 | COD | 9012888 | P2_12_12 (18) | ✗ | 18 | 104 | 2 | 4.374 | 4.378 | 0.000 | (0;000) | ✗ | 21/03/17 |
YNiP | ICSD | 646184 | P6_3/mmc (194) | ✔ | 12 | 104 | 3 | 0.0 | 0.015 | 0.564 | (1;000) | ✗ | 02/02/17 |
V3Ga | ICSD | 635634 | Pm-3n (223) | ✔ | 8 | 104 | 3 | 0.0 | 0.000 | 0.820 | (1;111) | ✗ | 22/03/17 |
AlICl6 | ICSD | 26510 | P2_1 (4) | ✗ | 16 | 104 | 2 | 2.2808 | 2.316 | 0.000 | (0;000) | ✗ | 16/03/17 |
V4GeS8 | ICSD | 50502 | F-43m (216) | ✗ | 13 | 104 | 3 | 0.0 | 0.000 | 0.188 | (0;000) | ✔ | 26/04/17 |
Nb3B3C | ICSD | 411622 | Cmcm (63) | ✔ | 14 | 104 | 3 | 0.0 | 0.012 | 0.523 | (1;110) | ✗ | 22/03/17 |
CdI2 | ICSD | 44792 | P3m1 (156) | ✗ | 12 | 104 | 1 | 1.9912 | 2.173 | 0.000 | (0;000) | ✗ | 22/03/17 |
SeOF2 | COD | 4031233 | Pca2_1 (29) | ✗ | 16 | 104 | 1 | 4.1822 | 4.182 | 0.000 | (0;000) | ✗ | 22/03/17 |
AsCl3 | COD | 4317526 | P2_12_12_1 (19) | ✗ | 16 | 104 | 1 | 3.8861 | 4.275 | 0.000 | (0;000) | ✗ | 21/03/17 |
RbSbSe2 | ICSD | 602244 | P1 (1) | ✗ | 16 | 104 | 3 | 0.0 | 0.017 | 0.026 | (0;101) | ✔ | 11/04/17 |
GaCuCl4 | ICSD | 300103 | P-42c (112) | ✗ | 12 | 104 | 3 | 1.9742 | 2.030 | 0.000 | (0;000) | ✗ | 22/03/17 |
AsF3 | ICSD | 35132 | Pna2_1 (33) | ✗ | 16 | 104 | 1 | 5.4269 | 5.517 | 0.000 | (0;000) | ✗ | 21/03/17 |
KAsSe2 | ICSD | 68638 | Cc (9) | ✗ | 16 | 104 | 2 | 1.5358 | 1.658 | 0.000 | (0;000) | ✗ | 21/03/17 |
HgI2 | ICSD | 95272 | P-4m2 (115) | ✗ | 12 | 104 | 3 | 0.0 | 0.005 | 0.318 | (1;111) | ✔ | 29/03/17 |
ZnGeN2 | COD | 1528213 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 1.8898 | 1.890 | 0.000 | (0;000) | ✗ | 15/02/17 |
SrCrF4 | ICSD | 9929 | I4/mcm (140) | ✔ | 12 | 104 | 1 | 0.0 | 0.001 | 0.196 | (0;000) | ✗ | 22/03/17 |
HIO3 | COD | 2000582 | P2_12_12_1 (19) | ✗ | 20 | 104 | 3 | 3.1754 | 3.229 | 0.000 | (0;000) | ✗ | 29/03/17 |
SbBr3 | COD | 1527261 | P2_12_12_1 (19) | ✗ | 16 | 104 | 2 | 2.6249 | 2.908 | 0.000 | (0;000) | ✗ | 21/03/17 |
P2S7 | ICSD | 423062 | P-1 (2) | ✔ | 18 | 104 | 1 | 1.8252 | 1.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnSiN2 | ICSD | 656276 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 3.0312 | 3.502 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnCl2 | COD | 4343817 | Pna2_1 (33) | ✗ | 12 | 104 | 3 | 3.8314 | 3.832 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaAgO | ICSD | 188524 | I-4m2 (119) | ✗ | 12 | 104 | 3 | 1.2628 | 1.270 | 0.000 | (0;000) | ✗ | 07/10/16 |
KAgO | COD | 1509421 | I4/mmm (139) | ✔ | 12 | 104 | 1 | 1.5553 | 1.666 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsKC2 | ICSD | 189822 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.2247 | 3.231 | 0.000 | (0;000) | ✗ | 02/02/17 |
C2S2O | COD | 2008373 | P2_1/c (14) | ✔ | 20 | 104 | 2 | 2.5413 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAgO | COD | 1509282 | I4/mmm (139) | ✔ | 12 | 104 | 3 | 2.1312 | 2.143 | 0.000 | (0;000) | ✗ | 30/01/17 |
Mo3Pt | COD | 1522788 | Pm-3n (223) | ✔ | 8 | 104 | 3 | 0.0 | 0.000 | 0.599 | (1;000) | ✗ | 27/01/17 |
HfNiGe | ICSD | 636577 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.038 | 0.196 | (1;000) | ✗ | 27/01/17 |
LiAsO3 | COD | 2310602 | C2/c (15) | ✔ | 20 | 104 | 1 | 3.7525 | 3.801 | 0.000 | (0;000) | ✗ | 30/01/17 |
Zn(FeO2)2 | COD | 9006902 | Fd-3m (227) | ✔ | 14 | 104 | 3 | 0.0 | 0.001 | 0.369 | (0;000) | ✗ | 27/01/17 |
NaCuO | ICSD | 188521 | I-4m2 (119) | ✗ | 12 | 104 | 3 | 1.1158 | 1.205 | 0.000 | (0;000) | ✗ | 07/10/16 |
Cs2Li2SiO4 | ICSD | 33809 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1815 | 4.319 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd2SiO4 | ICSD | 50531 | Fddd (70) | ✔ | 14 | 104 | 3 | 1.9093 | 2.013 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb3In | ICSD | 51996 | Pm-3n (223) | ✔ | 8 | 104 | 3 | 0.0 | 0.003 | 0.746 | (0;000) | ✗ | 27/01/17 |
CdI2 | ICSD | 9190 | P-3m1 (164) | ✔ | 12 | 104 | 1 | 1.9523 | 2.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbO2 | ICSD | 189980 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.299 | 0.028 | (0;000) | ✗ | 27/01/17 |
NaCdAs | COD | 7222182 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.018 | 0.009 | (1;000) | ✗ | 30/01/17 |
AgN3 | COD | 4307489 | P2_1/c (14) | ✔ | 16 | 104 | 3 | 1.6308 | 1.831 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsNaC2 | ICSD | 189824 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.1107 | 3.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbO2 | COD | 9009091 | Pbcn (60) | ✔ | 12 | 104 | 3 | 0.0 | 0.003 | 0.014 | (1;000) | ✗ | 27/01/17 |
BiF3 | ICSD | 25567 | P-43m (215) | ✗ | 16 | 104 | 3 | 2.8752 | 2.876 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaAgO | COD | 1509474 | I4/mmm (139) | ✔ | 12 | 104 | 3 | 1.3096 | 1.333 | 0.000 | (0;000) | ✗ | 30/01/17 |
CdF2 | ICSD | 183501 | Pnma (62) | ✔ | 12 | 104 | 3 | 3.4237 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsRbC2 | ICSD | 189823 | Pnma (62) | ✔ | 16 | 104 | 1 | 2.8694 | 3.018 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAgO | ICSD | 25744 | I-4 (82) | ✗ | 12 | 104 | 1 | 1.4553 | 1.701 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiBr3 | ICSD | 100293 | P2_1/c (14) | ✔ | 16 | 104 | 2 | 2.1184 | 2.183 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbI3 | ICSD | 30906 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.0113 | 2.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiF3 | ICSD | 1269 | Pbnm (62) | ✔ | 16 | 104 | 3 | 3.7081 | 3.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbFeP | ICSD | 632794 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.003 | 0.138 | (0;000) | ✗ | 27/01/17 |
Fe(NiO2)2 | ICSD | 109150 | Fd-3m (227) | ✔ | 14 | 104 | 3 | 0.0 | 0.000 | 0.907 | (0;000) | ✗ | 27/01/17 |
MoPbO4 | COD | 9009404 | I4_1/a (88) | ✔ | 12 | 104 | 3 | 2.6238 | 2.740 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiI3 | ICSD | 187607 | P2_1/c (14) | ✔ | 16 | 104 | 2 | 0.6786 | 0.679 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsAuO | COD | 1510102 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 1.8084 | 1.808 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ag2SO4 | COD | 1509700 | Fddd (70) | ✔ | 14 | 104 | 3 | 1.3024 | 1.399 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiI3 | ICSD | 187611 | Pnam (62) | ✔ | 16 | 104 | 3 | 0.0 | 0.026 | 0.642 | (0;000) | ✗ | 06/10/16 |
InAg3(PO4)2 | ICSD | 245001 | C2/m (12) | ✔ | 14 | 104 | 3 | 1.2304 | 1.490 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsCu2Cl3 | COD | 2310349 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.8641 | 1.864 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAsO2 | ICSD | 413149 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.8754 | 3.965 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbAgO | COD | 1509490 | I4/mmm (139) | ✔ | 12 | 104 | 3 | 1.5038 | 1.504 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cu2SO4 | ICSD | 40452 | Fddd (70) | ✔ | 14 | 104 | 3 | 1.4434 | 1.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbCl3 | ICSD | 8258 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.5764 | 3.619 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfGePt | ICSD | 86691 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.029 | 0.074 | (1;000) | ✗ | 27/01/17 |
I3N | COD | 9014796 | Pnma (62) | ✔ | 16 | 104 | 1 | 0.0 | 0.005 | 0.530 | (0;000) | ✗ | 02/02/17 |
CaSO6 | COD | 9015350 | C2/c (15) | ✔ | 16 | 104 | 1 | 0.0 | 0.006 | 0.453 | (0;000) | ✗ | 02/02/17 |
ScSiCu | ICSD | 86391 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.029 | 0.292 | (1;000) | ✗ | 27/01/17 |
TiSiPt | ICSD | 260794 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.042 | 0.071 | (1;000) | ✗ | 27/01/17 |
Ti4FeS8 | COD | 9012119 | C2/m (12) | ✔ | 13 | 104 | 3 | 0.0 | 0.016 | 0.502 | (0;001) | ✗ | 02/02/17 |
SrCd2Pd | ICSD | 425494 | Cmcm (63) | ✔ | 8 | 104 | 3 | 0.0 | 0.013 | 0.642 | (1;000) | ✗ | 27/01/17 |
SnO2 | ICSD | 56677 | Pa3 (205) | ✔ | 12 | 104 | 3 | 2.2532 | 2.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlH2PbO2F3 | ICSD | 79740 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.138 | 4.338 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(CuP2)2 | ICSD | 68802 | Fddd (70) | ✔ | 14 | 104 | 2 | 0.0 | 0.100 | 0.128 | (1;111) | ✗ | 02/02/17 |
VFeP | ICSD | 633116 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.012 | 0.071 | (0;000) | ✗ | 27/01/17 |
TaFeP | ICSD | 633105 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.016 | 0.164 | (0;000) | ✗ | 27/01/17 |
ScNiP | ICSD | 50990 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.023 | 0.024 | (1;000) | ✗ | 27/01/17 |
SrZnBi2 | ICSD | 41924 | I4/mmm (139) | ✔ | 8 | 104 | 1 | 0.0 | 0.031 | 0.134 | (0;000) | ✗ | 02/02/17 |