▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cs2Zn3S4 | ICSD | 627093 | Ibam (72) | ✔ | 18 | 156 | 2 | 2.9058 | 2.906 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs2Se | ICSD | 41687 | Fdd2 (43) | ✗ | 6 | 48 | 1 | 1.3763 | 1.379 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs2Te3 | ICSD | 53245 | Cmc2_1 (36) | ✗ | 10 | 72 | 1 | 0.2695 | 0.326 | 0.000 | (0;000) | ✔ | 22/03/17 |
CsI | ICSD | 61517 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.8212 | 3.821 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs3TaO8 | ICSD | 30408 | I-42m (121) | ✗ | 12 | 88 | 1 | 1.7678 | 1.807 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs4KLiFe2F12 | ICSD | 78928 | R-3m (166) | ✔ | 20 | 148 | 1 | 0.0021 | 0.004 | 0.000 | (0;111) | ✗ | 22/03/17 |
Cs4KLiGa2F12 | ICSD | 78927 | R-3m (166) | ✔ | 20 | 158 | 1 | 6.6244 | 6.626 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs5Te3 | ICSD | 34000 | C2/m (12) | ✔ | 16 | 126 | 1 | 0.223 | 0.223 | 0.000 | (0;000) | ✗ | 22/03/17 |
CuAgS | ICSD | 66581 | Pmc2_1 (26) | ✗ | 12 | 112 | 3 | 0.7052 | 0.722 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsGaP3HO10 | ICSD | 409692 | C2 (5) | ✗ | 16 | 98 | 3 | 5.0435 | 5.116 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsTaGeS5 | ICSD | 417875 | P-1 (2) | ✔ | 16 | 112 | 1 | 0.7968 | 0.814 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbScO2 | ICSD | 31960 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.3665 | 3.766 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsMnP3HO10 | ICSD | 51089 | C2 (5) | ✗ | 16 | 100 | 3 | 0.0 | 0.036 | 0.803 | ? | ✗ | 22/03/17 |
Rb2PbO3 | ICSD | 1413 | Cmc2_1 (36) | ✗ | 12 | 100 | 2 | 0.8375 | 0.838 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsSnI3 | ICSD | 69996 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.219 | 0.219 | 0.000 | (0;000) | ✗ | 22/03/17 |
CuAgS | ICSD | 66582 | Pmc2_1 (26) | ✗ | 12 | 112 | 3 | 0.7416 | 0.819 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiC | ICSD | 38150 | P3m1 (156) | ✗ | 20 | 80 | 3 | 1.999 | 3.114 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZrPbO3 | ICSD | 39607 | C2mm (38) | ✗ | 5 | 36 | 3 | 2.0123 | 2.012 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnSnO3 | ICSD | 165122 | R3c (161) | ✗ | 10 | 88 | 3 | 1.0327 | 1.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuF2 | ICSD | 26576 | P2_1/c (14) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.405 | (1;001) | ✔ | 06/10/16 |
ScAl | ICSD | 609303 | Cmcm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.000 | 0.601 | (1;110) | ✗ | 05/01/17 |
CuAgTe2 | ICSD | 42482 | Pmm2 (25) | ✗ | 4 | 34 | 2 | 0.0 | 0.001 | 0.916 | (1;000) | ✔ | 05/12/16 |
ZnSnO3 | ICSD | 245943 | R3c (161) | ✗ | 10 | 88 | 3 | 1.5568 | 1.557 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsSiTe3 | ICSD | 61397 | Cc (9) | ✗ | 20 | 124 | 1 | 1.0584 | 1.058 | 0.000 | (0;000) | ✗ | 22/03/17 |
SrTiO3 | ICSD | 182248 | Ic2m (46) | ✗ | 10 | 80 | 3 | 2.0079 | 2.008 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr3Fe2Cu2S2O5 | ICSD | 84961 | I4/mmm (139) | ✔ | 14 | 110 | 1 | 0.0 | 0.001 | 0.956 | (0;000) | ✗ | 22/03/17 |
Sr3Fe2Cu2Se2O5 | ICSD | 154203 | I4/mmm (139) | ✔ | 14 | 110 | 1 | 0.0 | 0.001 | 0.694 | (0;111) | ✗ | 22/03/17 |
GaAgS2 | ICSD | 92052 | Cc (9) | ✗ | 8 | 72 | 3 | 1.3645 | 1.365 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnSO4 | ICSD | 2456 | F-43m (216) | ✗ | 6 | 42 | 3 | 5.0558 | 5.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeSi(CuS2)2 | ICSD | 627355 | Pmn2_1 (31) | ✗ | 16 | 116 | 3 | 0.0 | 0.000 | 0.507 | ? | ✗ | 22/03/17 |
Cu2HgGeS4 | ICSD | 94988 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0465 | 0.047 | 0.000 | (0;000) | ✔ | 22/03/17 |
Cu2HgGeTe4 | ICSD | 656155 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.008 | 0.165 | (1;000) | ✔ | 22/03/17 |
MgCu2GeS4 | ICSD | 425555 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 1.0352 | 1.035 | 0.000 | (0;000) | ✗ | 22/03/17 |
MnCu2GeS4 | ICSD | 415453 | Pmn2_1 (31) | ✗ | 16 | 130 | 3 | 0.0 | 0.000 | 0.813 | ? | ✗ | 22/03/17 |
MnCu2GeSe4 | ICSD | 627741 | Pmn2_1 (31) | ✗ | 16 | 130 | 3 | 0.0 | 0.000 | 0.746 | ? | ✗ | 22/03/17 |
ZnCu2GeS4 | ICSD | 627793 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.677 | 0.677 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnCu2GeTe4 | ICSD | 656153 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.016 | 0.181 | (1;000) | ✔ | 22/03/17 |
SiCu2HgS4 | ICSD | 627928 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6297 | 0.630 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cu2SnHgS4 | ICSD | 627929 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0081 | 0.008 | 0.000 | (0;000) | ✔ | 22/03/17 |
Cu2SnHgTe4 | ICSD | 656158 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.009 | 0.048 | (1;000) | ✔ | 22/03/17 |
MgSi(CuS2)2 | ICSD | 425554 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 1.7685 | 1.769 | 0.000 | (0;000) | ✗ | 22/03/17 |
MgCu2SiSe4 | ICSD | 425556 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 0.9391 | 0.939 | 0.000 | (0;000) | ✗ | 22/03/17 |
MnSi(CuS2)2 | ICSD | 415452 | Pmn2_1 (31) | ✗ | 16 | 130 | 3 | 0.0 | 0.000 | 0.817 | ? | ✗ | 22/03/17 |
MnSi(CuSe2)2 | ICSD | 628396 | Pmn2_1 (31) | ✗ | 16 | 130 | 3 | 0.0 | 0.000 | 0.795 | ? | ✗ | 22/03/17 |
Sr2Cu2Ni(SO)2 | ICSD | 88424 | I4/mmm (139) | ✔ | 9 | 76 | 1 | 0.0 | 0.022 | 0.476 | (1;000) | ✗ | 22/03/17 |
Sr3Sc2Cu2S2O5 | ICSD | 88425 | I4/mmm (139) | ✔ | 14 | 116 | 1 | 1.5845 | 1.585 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnSi(CuS2)2 | ICSD | 236248 | Pc (7) | ✗ | 16 | 124 | 3 | 1.684 | 1.684 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnSi(CuS2)2 | ICSD | 628866 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 1.3074 | 1.308 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnCu2SnS4 | ICSD | 185597 | Pmn2_1 (31) | ✗ | 16 | 144 | 3 | 0.6953 | 0.695 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnCu2SiSe4 | ICSD | 629079 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6565 | 0.657 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnSi(CuTe2)2 | ICSD | 656150 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0426 | 0.052 | 0.000 | (0;000) | ✔ | 22/03/17 |
ZnCu2SnTe4 | ICSD | 656156 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.006 | 0.078 | (1;000) | ✔ | 22/03/17 |
Sr8In4Cu3N5 | ICSD | 96350 | Immm (71) | ✔ | 20 | 190 | 1 | 0.0 | 0.058 | 0.628 | (0;000) | ✗ | 22/03/17 |
Tl3VO4 | ICSD | 80667 | Imm2 (44) | ✗ | 8 | 76 | 3 | 2.6853 | 2.512 | 1.000 | (0;000) | ✗ | 06/10/16 |
MnV4(CuO4)3 | ICSD | 250793 | Im3 (204) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.624 | (1;111) | ✗ | 22/03/17 |
Cu3PS4 | ICSD | 656975 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.7252 | 0.725 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cu3SbS4 | ICSD | 42672 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5599 | 0.560 | 0.000 | (0;000) | ✗ | 22/03/17 |
Ta2Tl3Cu3S8 | ICSD | 406210 | C2 (5) | ✗ | 16 | 146 | 1 | 0.3824 | 0.101 | 1.000 | ? | ✗ | 22/03/17 |
YAl | ICSD | 247101 | Cmcm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.003 | 0.547 | (1;110) | ✗ | 05/01/17 |
Cu4NiGe2S7 | ICSD | 627755 | C2 (5) | ✗ | 14 | 104 | 3 | 0.0 | 0.023 | 0.478 | ? | ✗ | 22/03/17 |
Si2Cu4NiS7 | ICSD | 100778 | C2 (5) | ✗ | 14 | 104 | 3 | 0.0 | 0.026 | 0.409 | ? | ✗ | 22/03/17 |
Zr3(Si3Cu2)2 | ICSD | 629244 | I4/mmm (139) | ✔ | 13 | 80 | 3 | 0.0 | 0.000 | 0.843 | (1;110) | ✗ | 22/03/17 |
GaCuTe2 | ICSD | 74456 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.396 | 0.396 | 0.000 | (0;000) | ✔ | 22/03/17 |
KAgO | ICSD | 25744 | I-4 (82) | ✗ | 12 | 104 | 1 | 1.4553 | 1.701 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuHgSI | ICSD | 413309 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.7199 | 0.720 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cu(IO3)2 | ICSD | 4327 | P2_1 (4) | ✗ | 18 | 122 | 3 | 0.0 | 0.001 | 0.526 | ? | ✗ | 22/03/17 |
CuI | ICSD | 246690 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.172 | 0.164 | (0;000) | ✗ | 22/03/17 |
CuI | ICSD | 30363 | P3m1 (156) | ✗ | 12 | 108 | 1 | 1.4688 | 1.469 | 0.000 | (0;000) | ✗ | 22/03/17 |
Ta2InCuTe4 | ICSD | 161365 | I-42m (121) | ✗ | 8 | 74 | 3 | 0.0 | 0.000 | 0.709 | ? | ✗ | 22/03/17 |
InCuTe2 | ICSD | 73352 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.010 | 0.012 | (0;000) | ✔ | 22/03/17 |
Sb2PbO6 | ICSD | 16852 | P-31m (162) | ✔ | 9 | 60 | 3 | 2.242 | 2.378 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2CuP | ICSD | 61082 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.118 | 1.194 | 0.000 | (0;000) | ✗ | 22/03/17 |
V2ZnO6 | ICSD | 26998 | C2 (5) | ✗ | 9 | 74 | 3 | 2.1247 | 2.204 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2CuSn2 | ICSD | 426084 | I4_1/amd (141) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.933 | (1;111) | ✗ | 22/03/17 |
P4PtF12 | ICSD | 418726 | I-43m (217) | ✗ | 17 | 114 | 1 | 5.0854 | 5.098 | 0.000 | (0;000) | ✗ | 22/03/17 |
KSb4F13 | ICSD | 4049 | I-4 (82) | ✗ | 18 | 120 | 2 | 4.6916 | 4.904 | 0.000 | (0;000) | ✗ | 22/03/17 |
K2AgSb | ICSD | 1155 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1247 | 1.333 | 0.000 | (0;000) | ✗ | 06/10/16 |
V2Pb3O8 | ICSD | 29359 | C2 (5) | ✗ | 13 | 116 | 3 | 2.3727 | 2.545 | 0.000 | (0;000) | ✗ | 06/10/16 |
V2Pb3O8 | ICSD | 67604 | C2 (5) | ✗ | 13 | 116 | 3 | 2.7495 | 2.762 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnH2N2O3F2 | ICSD | 92998 | C2 (5) | ✗ | 20 | 116 | 1 | 0.0 | 0.001 | 0.468 | ? | ✗ | 22/03/17 |
BaSe3 | ICSD | 16359 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.9646 | 1.065 | 0.000 | (0;000) | ✗ | 06/10/16 |
HS2N(O2F)2 | ICSD | 165234 | P2_1 (4) | ✗ | 20 | 112 | 1 | 6.6299 | 6.731 | 0.000 | (0;000) | ✗ | 22/03/17 |
PHF2 | ICSD | 406360 | P2_12_12_1 (19) | ✗ | 16 | 80 | 1 | 3.7561 | 3.781 | 0.000 | (0;000) | ✗ | 22/03/17 |
CuI | ICSD | 157431 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.9584 | 0.959 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrAl | ICSD | 191011 | Ccmm (63) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.909 | (1;000) | ✗ | 06/10/16 |
AgNO2 | ICSD | 23891 | Imm2 (44) | ✗ | 4 | 28 | 3 | 1.7804 | 2.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
S(OF)2 | ICSD | 62968 | P4_12_12 (92) | ✗ | 20 | 128 | 1 | 6.6222 | 6.639 | 0.000 | (0;000) | ✗ | 22/03/17 |
Pb2OF2 | ICSD | 76964 | P-4m2 (115) | ✗ | 20 | 192 | 3 | 0.0 | 0.003 | 0.052 | (0;000) | ✔ | 22/03/17 |
Sr2Ti2Sb2OF2 | ICSD | 167014 | I4/mmm (139) | ✔ | 9 | 74 | 1 | 0.0 | 0.022 | 0.576 | (0;000) | ✗ | 22/03/17 |
V2Pb3O8 | ICSD | 67605 | C2 (5) | ✗ | 13 | 116 | 3 | 2.725 | 2.737 | 0.000 | (0;000) | ✗ | 06/10/16 |
V2Pb3O8 | ICSD | 69800 | C2 (5) | ✗ | 13 | 116 | 3 | 2.5077 | 2.573 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnF2 | ICSD | 14195 | P4_12_12 (92) | ✗ | 12 | 112 | 3 | 3.6722 | 3.814 | 0.000 | (0;000) | ✗ | 22/03/17 |
IOF3 | ICSD | 4076 | P2_12_12_1 (19) | ✗ | 20 | 136 | 1 | 3.7853 | 3.792 | 0.000 | (0;000) | ✗ | 22/03/17 |
KTeOF3 | ICSD | 201155 | P2_1 (4) | ✗ | 12 | 84 | 1 | 1.8951 | 2.024 | 0.000 | (0;000) | ✗ | 22/03/17 |
PbF3 | ICSD | 23467 | P-4c2 (116) | ✗ | 16 | 140 | 3 | 0.6313 | 0.631 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbF3 | ICSD | 9935 | P2_12_12_1 (19) | ✗ | 16 | 120 | 1 | 0.0 | 0.154 | 0.644 | ? | ✗ | 22/03/17 |
TiF3 | ICSD | 67148 | R-3c (167) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.753 | (0;000) | ✗ | 22/03/17 |
KTeHOF4 | ICSD | 155199 | P2_1 (4) | ✗ | 16 | 100 | 1 | 4.8867 | 5.105 | 0.000 | (0;000) | ✗ | 22/03/17 |
SeF4 | ICSD | 85451 | P2_12_12_1 (19) | ✗ | 20 | 136 | 1 | 4.7305 | 4.799 | 0.000 | (0;000) | ✗ | 22/03/17 |
TeF4 | ICSD | 85452 | P2_12_12_1 (19) | ✗ | 20 | 136 | 2 | 4.2126 | 4.283 | 0.000 | (0;000) | ✗ | 22/03/17 |