▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaTeS3 | ICSD | 8 | Pnma (62) | ✔ | 20 | 136 | 1 | 1.8106 | 2.025 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaClO2 | ICSD | 22 | C2/c (15) | ✔ | 8 | 56 | 1 | 2.5433 | 2.543 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs3MnCl5 | ICSD | 24 | I4/mcm (140) | ✔ | 18 | 154 | 1 | 0.0 | 0.000 | 0.337 | (1;111) | ✗ | 02/02/17 |
NaTeH6O6F | ICSD | 42 | R3 (146) | ✗ | 15 | 64 | 1 | 3.6488 | 3.725 | 0.000 | (0;000) | ✗ | 15/02/17 |
Fe3Sn2 | ICSD | 71 | R-3m (166) | ✔ | 10 | 104 | 3 | 0.0 | 0.001 | 0.459 | (1;111) | ✗ | 27/01/17 |
TeI | ICSD | 108 | C2/m (12) | ✔ | 8 | 52 | 2 | 0.4247 | 0.727 | 0.000 | (0;000) | ✔ | 06/10/16 |
MgP4 | ICSD | 113 | P2_1/c (14) | ✔ | 10 | 60 | 1 | 0.6744 | 0.674 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbC2(SN)2 | ICSD | 143 | C2/c (15) | ✔ | 14 | 88 | 1 | 2.2153 | 2.282 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2Sb | ICSD | 154 | I4mm (107) | ✗ | 6 | 50 | 1 | 0.0 | 0.091 | 0.055 | (0;000) | ✔ | 06/10/16 |
CaAs3 | ICSD | 193 | P-1 (2) | ✔ | 8 | 50 | 1 | 0.0 | 0.060 | 0.008 | (1;100) | ✗ | 06/10/16 |
SF6 | ICSD | 214 | Im-3m (229) | ✔ | 7 | 48 | 1 | 8.4913 | 8.491 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuSe2 | ICSD | 242 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.939 | (0;000) | ✗ | 06/10/16 |
Cs2SnF6 | ICSD | 281 | P-3m1 (164) | ✔ | 9 | 74 | 1 | 6.1011 | 6.101 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2HN | ICSD | 292 | Fd-3m (227) | ✔ | 16 | 104 | 1 | 0.2723 | 0.278 | 0.000 | (0;000) | ✗ | 02/02/17 |
PI3 | ICSD | 311 | P2_1 (4) | ✗ | 8 | 52 | 1 | 1.8955 | 1.899 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgNO3 | ICSD | 374 | R3c (161) | ✗ | 10 | 68 | 3 | 1.7072 | 1.921 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNO3 | ICSD | 384 | R3m (160) | ✗ | 5 | 32 | 1 | 1.7583 | 1.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaTiF4 | ICSD | 389 | Pbcn (60) | ✔ | 24 | 196 | 2 | 0.0 | 0.000 | 0.734 | (0;000) | ✗ | 04/08/17 |
Sr(MnGe)2 | ICSD | 403 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.0 | 0.005 | 0.746 | (0;111) | ✗ | 27/01/17 |
Ba(MnGe)2 | ICSD | 404 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.0 | 0.001 | 0.733 | (0;000) | ✗ | 05/01/17 |
Ca(CoGe)2 | ICSD | 406 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.024 | 0.628 | (1;111) | ✗ | 27/01/17 |
Sr(CoGe)2 | ICSD | 407 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.005 | 0.628 | (1;000) | ✗ | 27/01/17 |
Ca(NiGe)2 | ICSD | 408 | I4/mmm (139) | ✔ | 5 | 38 | 3 | 0.0 | 0.011 | 0.725 | (0;111) | ✗ | 27/01/17 |
Sr(ZnGe)2 | ICSD | 411 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.011 | 0.303 | (1;111) | ✗ | 27/01/17 |
Ca3AsBr3 | ICSD | 426 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.5395 | 1.540 | 0.000 | (0;000) | ✗ | 30/01/17 |
NbFeO4 | ICSD | 429 | C2 (5) | ✗ | 12 | 90 | 3 | 0.0 | 0.010 | 0.796 | ? | ✗ | 06/10/16 |
CdAs | ICSD | 432 | Pbca (61) | ✔ | 16 | 136 | 3 | 0.1609 | 0.448 | 0.000 | (0;000) | ✗ | 30/01/17 |
AlPt2 | ICSD | 459 | Pmma (51) | ✔ | 24 | 184 | 3 | 0.0 | 0.011 | 0.337 | (1;110) | ✗ | 04/08/17 |
InBi2S4Cl | ICSD | 484 | C2/m (12) | ✔ | 8 | 74 | 2 | 1.5901 | 1.742 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgSeO3 | ICSD | 494 | Pnma (62) | ✔ | 20 | 136 | 3 | 4.1899 | 4.512 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoTeO3 | ICSD | 500 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.568 | (0;110) | ✗ | 02/02/17 |
CuTe2Cl | ICSD | 641 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.517 | 0.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrS2 | ICSD | 642 | I4/mcm (140) | ✔ | 6 | 44 | 1 | 1.3022 | 2.079 | 0.000 | (0;000) | ✗ | 27/01/17 |
Te2SO7 | ICSD | 643 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 2.3945 | 2.421 | 0.000 | (0;000) | ✗ | 29/03/17 |
SnClF | ICSD | 647 | Pnma (62) | ✔ | 12 | 112 | 2 | 3.2601 | 3.299 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2CO3 | ICSD | 662 | C2/c (15) | ✔ | 12 | 80 | 1 | 3.5203 | 3.520 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbCdBr3 | ICSD | 808 | Pnma (62) | ✔ | 20 | 168 | 1 | 2.8691 | 2.929 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbCdH2I3O | ICSD | 809 | Cc (9) | ✗ | 16 | 100 | 1 | 2.3934 | 2.394 | 0.000 | (0;000) | ✗ | 22/03/17 |
GePtSe | ICSD | 822 | P2_1ab (29) | ✗ | 12 | 80 | 3 | 0.8395 | 1.082 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgC2N3 | ICSD | 843 | P3_121 (152) | ✗ | 18 | 102 | 3 | 3.4019 | 3.423 | 0.000 | (0;000) | ✗ | 21/03/17 |
Li2SiO3 | ICSD | 853 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 5.3811 | 5.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
Co2SiO4 | ICSD | 859 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.0 | 0.008 | 0.939 | (0;000) | ✗ | 27/01/17 |
CaSb2 | ICSD | 862 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.070 | 0.251 | (1;011) | ✔ | 27/01/17 |
ZrCl | ICSD | 868 | C2/m (12) | ✔ | 4 | 38 | 2 | 0.0 | 0.064 | 0.228 | (0;111) | ✔ | 04/10/16 |
Cu2AsClO4 | ICSD | 901 | P2_1/m (11) | ✔ | 16 | 116 | 3 | 0.0 | 0.016 | 0.602 | (0;000) | ✗ | 30/01/17 |
Co2AsClO4 | ICSD | 902 | P2_1/m (11) | ✔ | 16 | 140 | 3 | 0.0 | 0.014 | 0.656 | (1;011) | ✗ | 30/01/17 |
CrPS4 | ICSD | 937 | C2 (5) | ✗ | 12 | 86 | 2 | 0.0 | 0.006 | 0.359 | (0;100) | ✔ | 05/12/16 |
NaCSN | ICSD | 953 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1824 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbRu | ICSD | 990 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.549 | (0;011) | ✗ | 06/10/16 |
RbAg3S2 | ICSD | 1034 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.2691 | 0.292 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ga2Te5 | ICSD | 1085 | I4/m (87) | ✔ | 7 | 56 | 3 | 0.8135 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
TiSi2 | ICSD | 1089 | Fddd (70) | ✔ | 6 | 40 | 3 | 0.0 | 0.012 | 0.452 | (1;000) | ✗ | 06/10/16 |
K2AgAs | ICSD | 1154 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1805 | 1.308 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2AgSb | ICSD | 1155 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1247 | 1.333 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2AgBi | ICSD | 1156 | C222_1 (20) | ✗ | 8 | 68 | 1 | 0.6946 | 0.866 | 0.000 | (0;000) | ✗ | 06/10/16 |
OsCl4 | ICSD | 1165 | Cmmm (65) | ✔ | 5 | 44 | 1 | 0.0 | 0.322 | 0.353 | (0;000) | ✗ | 06/10/16 |
In5Bi3 | ICSD | 1244 | I4/mcm (140) | ✔ | 16 | 160 | 3 | 0.0 | 0.027 | 0.678 | (1;000) | ✗ | 06/10/16 |
In2Bi | ICSD | 1247 | Ccmm (63) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.715 | (0;000) | ✗ | 06/10/16 |
GeS | ICSD | 1256 | Pmcn (62) | ✔ | 8 | 40 | 2 | 1.1038 | 1.104 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2Se3 | ICSD | 1264 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7025 | 0.851 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiF3 | ICSD | 1269 | Pbnm (62) | ✔ | 16 | 104 | 3 | 3.7081 | 3.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReH4NO4 | ICSD | 1394 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 4.2132 | 4.213 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li4PbO4 | ICSD | 1411 | Cmcm (63) | ✔ | 18 | 100 | 1 | 1.602 | 1.602 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2PbO3 | ICSD | 1413 | Cmc2_1 (36) | ✗ | 12 | 100 | 2 | 0.8375 | 0.838 | 0.000 | (0;000) | ✗ | 06/10/16 |
VCu3S4 | ICSD | 1414 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.012 | 1.366 | 0.000 | (0;000) | ✗ | 06/10/16 |
VO2 | ICSD | 1501 | P-1 (2) | ✔ | 12 | 100 | 2 | 0.0 | 0.011 | 0.534 | (1;001) | ✗ | 06/10/16 |
PdF4 | ICSD | 1555 | F2dd (43) | ✗ | 10 | 76 | 3 | 0.6264 | 0.669 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiI | ICSD | 1558 | C2/m (12) | ✔ | 16 | 96 | 1 | 0.1374 | 0.153 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiI | ICSD | 1559 | C2/m (12) | ✔ | 8 | 48 | 1 | 0.139 | 0.161 | 0.000 | (0;001) | ✗ | 06/10/16 |
BiBr | ICSD | 1560 | C2/m (12) | ✔ | 16 | 96 | 2 | 0.3125 | 0.313 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2GeO3 | ICSD | 1622 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 3.3058 | 3.615 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaTl3(SO3)2 | ICSD | 1626 | P-3m1 (164) | ✔ | 12 | 96 | 1 | 3.0547 | 3.215 | 0.000 | (0;000) | ✗ | 02/02/17 |
InPS4 | ICSD | 1699 | I-4 (82) | ✗ | 6 | 42 | 3 | 2.4577 | 2.557 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaSr(FeO2)4 | ICSD | 1838 | P-31m (162) | ✔ | 14 | 100 | 2 | 0.0 | 0.017 | 0.796 | (0;001) | ✗ | 02/02/17 |
MoF6 | ICSD | 1879 | Im-3m (229) | ✔ | 7 | 56 | 1 | 4.5156 | 4.617 | 0.000 | (0;000) | ✗ | 02/02/17 |
InSe | ICSD | 1884 | R3m (160) | ✗ | 4 | 38 | 2 | 0.4229 | 0.424 | 0.000 | (0;000) | ✔ | 06/10/16 |
K4W2Cl10O | ICSD | 1923 | I4/mmm (139) | ✔ | 17 | 168 | 1 | 0.0 | 0.001 | 0.498 | (1;111) | ✗ | 11/04/17 |
P4S5 | ICSD | 1995 | P2_1/m (11) | ✔ | 18 | 100 | 1 | 2.2857 | 2.286 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaSe | ICSD | 2002 | P6_3mc (186) | ✗ | 16 | 152 | 1 | 0.8502 | 0.851 | 0.000 | (0;000) | ✗ | 22/03/17 |
Nb5Ge3 | ICSD | 2003 | I4/mcm (140) | ✔ | 16 | 154 | 3 | 0.0 | 0.002 | 0.613 | (0;000) | ✗ | 02/02/17 |
BaS2 | ICSD | 2004 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5522 | 1.591 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnAs2 | ICSD | 2021 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 0.2561 | 0.256 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sb2Te3 | ICSD | 2084 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.1121 | 0.227 | 0.000 | (1;000) | ✗ | 06/10/16 |
GePbS3 | ICSD | 2090 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 1.8361 | 1.931 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti3PbO7 | ICSD | 2104 | P2_1/m (11) | ✔ | 22 | 184 | 3 | 2.3353 | 2.681 | 0.000 | (0;000) | ✗ | 07/08/17 |
C5N4 | ICSD | 2130 | R3c (161) | ✗ | 18 | 80 | 3 | 6.2909 | 6.303 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba2Bi | ICSD | 2141 | I4/mmm (139) | ✔ | 6 | 70 | 1 | 0.0 | 0.014 | 0.226 | (0;111) | ✗ | 02/02/17 |
Ga5Fe6 | ICSD | 2146 | C2/m (12) | ✔ | 22 | 226 | 3 | 0.0 | 0.001 | 0.634 | (1;111) | ✗ | 07/08/17 |
BaCl2 | ICSD | 2190 | P-62m (189) | ✗ | 9 | 72 | 1 | 4.5187 | 4.519 | 0.000 | (0;000) | ✗ | 21/03/17 |
K2Sn2O3 | ICSD | 2216 | R3 (146) | ✗ | 7 | 64 | 2 | 0.8749 | 0.875 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaSi2 | ICSD | 2218 | P4_332 (212) | ✗ | 12 | 72 | 3 | 0.0 | 0.008 | 0.016 | (0;000) | ✔ | 13/04/17 |
CrHgO4 | ICSD | 2224 | P2_1/c (14) | ✔ | 24 | 200 | 3 | 1.7041 | 1.705 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbCrCl3 | ICSD | 2225 | C2/m (12) | ✔ | 10 | 88 | 1 | 0.0 | 0.008 | 0.538 | (0;000) | ✗ | 02/02/17 |
Cu(IO3)2 | ICSD | 2232 | P2_1/m (11) | ✔ | 18 | 122 | 2 | 0.0 | 0.000 | 0.426 | (0;011) | ✗ | 02/02/17 |
Tl2GeS3 | ICSD | 2240 | P-1 (2) | ✔ | 12 | 96 | 1 | 1.5977 | 1.697 | 0.000 | (0;000) | ✗ | 02/02/17 |
BeP2 | ICSD | 2262 | C2/c (15) | ✔ | 24 | 112 | 1 | 0.8233 | 0.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2PbO2 | ICSD | 2266 | P-1 (2) | ✔ | 20 | 176 | 1 | 1.8725 | 1.873 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2PbO2 | ICSD | 2267 | P-1 (2) | ✔ | 20 | 176 | 3 | 0.0923 | 0.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PbO2 | ICSD | 2268 | P-1 (2) | ✔ | 20 | 176 | 3 | 1.5836 | 1.598 | 0.000 | (0;000) | ✗ | 22/03/17 |
K3GaO3 | ICSD | 2269 | C2/m (12) | ✔ | 14 | 116 | 1 | 2.7722 | 2.772 | 0.000 | (0;000) | ✗ | 02/02/17 |