▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MgCl2 | ICSD | 51246 | C2cm (40) | ✗ | 6 | 48 | 2 | 0.0 | 0.022 | 0.250 | (1;000) | ✔ | 06/10/16 |
MgCl2 | ICSD | 51247 | P-1 (2) | ✔ | 6 | 48 | 3 | 2.4906 | 2.491 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2CdSe4 | ICSD | 51421 | I-4 (82) | ✗ | 7 | 42 | 3 | 2.2148 | 2.215 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2CdSe4 | ICSD | 51422 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.9423 | 1.942 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg2GeB2Rh5 | ICSD | 51432 | P4/mbm (127) | ✔ | 20 | 230 | 3 | 0.0 | 0.000 | 0.993 | (0;000) | ✗ | 02/02/17 |
Sc2CrB2Rh5 | ICSD | 51435 | P4/mbm (127) | ✔ | 20 | 254 | 3 | 0.0 | 0.000 | 0.968 | (0;110) | ✗ | 21/03/17 |
Sc2MnB2Rh5 | ICSD | 51436 | P4/mbm (127) | ✔ | 20 | 256 | 3 | 0.0 | 0.001 | 0.687 | (1;001) | ✗ | 21/03/17 |
Sc2FeB2Rh5 | ICSD | 51437 | P4/mbm (127) | ✔ | 20 | 242 | 3 | 0.0 | 0.000 | 0.804 | (0;110) | ✗ | 21/03/17 |
Sc2GaB2Rh5 | ICSD | 51438 | P4/mbm (127) | ✔ | 20 | 252 | 3 | 0.0 | 0.001 | 0.399 | (0;000) | ✗ | 02/02/17 |
Ba(CuTe)2 | ICSD | 51444 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.4661 | 0.483 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaYPO4F | ICSD | 51463 | C2/m (12) | ✔ | 16 | 112 | 3 | 5.7036 | 5.731 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2MnGaO5 | ICSD | 51466 | Ima2 (46) | ✗ | 18 | 156 | 3 | 0.0 | 0.003 | 0.785 | ? | ✗ | 21/03/17 |
FePb2(CN)6 | ICSD | 51493 | P-3 (147) | ✔ | 15 | 90 | 3 | 2.5974 | 2.672 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeSn2(CN)6 | ICSD | 51494 | P-3 (147) | ✔ | 15 | 90 | 3 | 3.3964 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2Mo2O7 | ICSD | 51511 | P2/c (13) | ✔ | 22 | 188 | 3 | 2.434 | 2.643 | 0.000 | (0;000) | ✗ | 07/08/17 |
RbC | ICSD | 51532 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.5711 | 3.623 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsC | ICSD | 51533 | P-62m (189) | ✗ | 12 | 78 | 3 | 2.1594 | 2.159 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsC | ICSD | 51534 | Pnma (62) | ✔ | 16 | 104 | 1 | 2.8353 | 2.840 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbP(OF3)2 | ICSD | 51535 | P-1 (2) | ✔ | 20 | 128 | 1 | 5.0835 | 5.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2Ga2O5 | ICSD | 51545 | Ima2 (46) | ✗ | 18 | 152 | 3 | 2.4015 | 2.402 | 0.000 | (0;000) | ✗ | 21/03/17 |
SnBr4 | ICSD | 51570 | P2_1/c (14) | ✔ | 20 | 168 | 1 | 2.8007 | 2.801 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2MnWO6 | ICSD | 51615 | P2_1/c (14) | ✔ | 20 | 170 | 3 | 0.0 | 0.000 | 0.904 | (0;010) | ✗ | 02/02/17 |
BaPbO3 | ICSD | 51659 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.691 | (0;000) | ✗ | 05/01/17 |
FeBiO3 | ICSD | 51664 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.523 | ? | ✗ | 06/10/16 |
Bi | ICSD | 51674 | I4/mcm (140) | ✔ | 4 | 60 | 3 | 0.0 | 0.037 | 0.408 | (1;100) | ✗ | 05/01/17 |
TiCdO3 | ICSD | 51698 | Pmc2_1 (26) | ✗ | 20 | 168 | 3 | 0.0 | 0.005 | 0.548 | ? | ✗ | 22/03/17 |
ZrBrN | ICSD | 51771 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.2522 | 1.887 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi4O7 | ICSD | 51778 | P-1 (2) | ✔ | 22 | 124 | 3 | 1.173 | 1.280 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaCu3(RuO3)4 | ICSD | 51893 | Im3 (204) | ✔ | 20 | 178 | 3 | 0.0 | 0.016 | 0.700 | (0;111) | ✗ | 02/02/17 |
Li2In | ICSD | 51961 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.804 | (1;110) | ✗ | 27/01/17 |
Mg3In | ICSD | 51976 | R-3m (166) | ✔ | 16 | 172 | 3 | 0.0 | 0.018 | 0.766 | (0;000) | ✗ | 02/02/17 |
MnInPd2 | ICSD | 51988 | Fm-3m (225) | ✔ | 4 | 64 | 3 | 0.0 | 0.000 | 0.584 | (1;000) | ✗ | 27/01/17 |
Nb3In | ICSD | 51996 | Pm-3n (223) | ✔ | 8 | 104 | 3 | 0.0 | 0.003 | 0.746 | (0;000) | ✗ | 27/01/17 |
Si5Rh4 | ICSD | 52066 | P2_1/m (11) | ✔ | 18 | 176 | 3 | 0.0 | 0.009 | 0.857 | (1;011) | ✗ | 02/02/17 |
RhSe | ICSD | 52069 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.711 | (0;000) | ✗ | 27/01/17 |
Y3Si3Rh | ICSD | 52079 | C2/m (12) | ✔ | 14 | 124 | 3 | 0.0 | 0.002 | 0.528 | (1;000) | ✗ | 02/02/17 |
YSi2Rh3 | ICSD | 52080 | P6/mmm (191) | ✔ | 6 | 70 | 3 | 0.0 | 0.011 | 0.841 | (1;000) | ✗ | 27/01/17 |
SnS | ICSD | 52106 | Cmcm (63) | ✔ | 4 | 40 | 1 | 0.0 | 0.084 | 0.171 | (0;000) | ✗ | 27/01/17 |
SnS | ICSD | 52107 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.0 | 0.104 | 0.037 | (0;000) | ✗ | 27/01/17 |
SrS | ICSD | 52111 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 1.0911 | 1.447 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaS2 | ICSD | 52117 | R3m (160) | ✗ | 6 | 50 | 1 | 0.0 | 0.013 | 0.851 | ? | ✗ | 15/02/17 |
GeIr | ICSD | 52126 | Pmnb (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.568 | (0;011) | ✗ | 06/10/16 |
TiS | ICSD | 52193 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.159 | (1;100) | ✔ | 04/10/16 |
VS | ICSD | 52212 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.771 | (0;011) | ✗ | 27/01/17 |
YS2 | ICSD | 52216 | Fd-3m (227) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.796 | (0;000) | ✗ | 27/01/17 |
CuF | ICSD | 52273 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.027 | 0.037 | (1;000) | ✔ | 06/10/16 |
Co2Si | ICSD | 52281 | Pnma (62) | ✔ | 12 | 152 | 3 | 0.0 | 0.007 | 0.606 | (1;000) | ✗ | 27/01/17 |
Na6S2ClO8F | ICSD | 52291 | Fm-3m (225) | ✔ | 18 | 128 | 1 | 4.8534 | 4.856 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2SiF6 | ICSD | 52292 | Fm-3m (225) | ✔ | 9 | 72 | 2 | 1.2547 | 1.589 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrSb2 | ICSD | 52307 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.140 | 0.143 | (0;010) | ✔ | 27/01/17 |
NaReO4 | ICSD | 52337 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.8048 | 3.880 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlIO4 | ICSD | 52342 | I4_1/a (88) | ✔ | 12 | 88 | 1 | 1.1834 | 1.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
NO2 | ICSD | 52347 | Im3 (204) | ✔ | 18 | 102 | 1 | 2.3492 | 2.349 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNO3 | ICSD | 52376 | Pnma (62) | ✔ | 20 | 128 | 1 | 2.3104 | 2.310 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaWO4 | ICSD | 52384 | I4_1/a (88) | ✔ | 12 | 124 | 2 | 4.1591 | 4.294 | 0.000 | (0;000) | ✗ | 11/04/17 |
Fe2NiO4 | ICSD | 52387 | Fd-3m (227) | ✔ | 14 | 100 | 3 | 0.0 | 0.000 | 0.790 | (0;000) | ✗ | 27/01/17 |
CaIn2O4 | ICSD | 52390 | I4_1/amd (141) | ✔ | 14 | 120 | 3 | 2.1818 | 2.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrSb | ICSD | 52404 | Cmcm (63) | ✔ | 12 | 54 | 3 | 0.0 | 0.000 | 0.705 | (1;000) | ✗ | 02/02/17 |
Se | ICSD | 52418 | Pm-3m (221) | ✔ | 1 | 6 | 3 | 0.0 | 0.000 | 0.695 | (0;000) | ✗ | 27/01/17 |
SnSe | ICSD | 52423 | Cmcm (63) | ✔ | 4 | 40 | 2 | 0.3199 | 0.320 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaTl3Se4 | ICSD | 52431 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.6512 | 1.781 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiW3 | ICSD | 52476 | Im-3m (229) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.820 | (0;000) | ✗ | 27/01/17 |
SnTe | ICSD | 52488 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.308 | 0.567 | (1;111) | ✗ | 27/01/17 |
SnTe | ICSD | 52489 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.1897 | 0.223 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrTe | ICSD | 52491 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 0.0 | 0.039 | 0.061 | (1;000) | ✗ | 27/01/17 |
Te | ICSD | 52499 | R-3m (166) | ✔ | 2 | 12 | 3 | 0.0 | 0.136 | 0.557 | (1;000) | ✗ | 27/01/17 |
Te | ICSD | 52500 | R-3m (166) | ✔ | 1 | 6 | 3 | 0.0 | 0.003 | 0.762 | (0;000) | ✗ | 27/01/17 |
K2CO3 | ICSD | 52535 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 3.3215 | 3.322 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba3(AlGe)2 | ICSD | 52612 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.026 | 0.465 | (1;000) | ✗ | 30/01/17 |
Ca3(AlGe)2 | ICSD | 52616 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.005 | 0.676 | (0;111) | ✗ | 05/01/17 |
Sr3(AlGe)2 | ICSD | 52617 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.011 | 0.612 | (1;111) | ✗ | 05/01/17 |
Ti3AlN | ICSD | 52642 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.000 | 0.240 | (0;111) | ✗ | 05/01/17 |
Sc2AlSi2 | ICSD | 52653 | P4/mbm (127) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.847 | (1;111) | ✗ | 05/01/17 |
Ba | ICSD | 52679 | Fm-3m (225) | ✔ | 1 | 10 | 1 | 0.0 | 0.077 | 0.167 | (0;000) | ✗ | 02/02/17 |
BaCaGe | ICSD | 52681 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.1551 | 0.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCaSi | ICSD | 52682 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0365 | 0.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCdSb2 | ICSD | 52683 | I4/mmm (139) | ✔ | 8 | 64 | 1 | 0.0 | 0.030 | 0.180 | (0;000) | ✗ | 02/02/17 |
BaCuP | ICSD | 52684 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.374 | 0.167 | (0;000) | ✗ | 05/01/17 |
BaGe | ICSD | 52688 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.011 | 0.146 | (0;110) | ✗ | 06/10/16 |
BaVS3 | ICSD | 52692 | Ccm2_1 (36) | ✗ | 10 | 82 | 1 | 0.0 | 0.000 | 0.497 | ? | ✗ | 06/10/16 |
BaSe | ICSD | 52695 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 0.8463 | 0.846 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2Si | ICSD | 52698 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.011 | 0.022 | (1;000) | ✗ | 02/02/17 |
SrGe | ICSD | 52703 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.044 | 0.168 | (0;110) | ✗ | 27/01/17 |
CaMnSb2 | ICSD | 52705 | Pmmn (59) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.954 | (0;001) | ✗ | 02/02/17 |
Be | ICSD | 52706 | P2_12_12 (18) | ✗ | 4 | 16 | 1 | 0.0 | 0.045 | 0.184 | (0;000) | ✔ | 15/02/17 |
Be | ICSD | 52708 | Im-3m (229) | ✔ | 1 | 4 | 1 | 0.0 | 0.001 | 0.284 | (1;000) | ✗ | 05/01/17 |
RbBiS2 | ICSD | 52735 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.0427 | 1.171 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaCdGe | ICSD | 52750 | P-62m (189) | ✗ | 9 | 78 | 3 | 0.0 | 0.026 | 0.212 | (1;000) | ✔ | 05/12/16 |
Ca(GeIr)2 | ICSD | 52755 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.072 | 0.573 | (1;111) | ✗ | 27/01/17 |
Ca(GePd)2 | ICSD | 52759 | I4/mmm (139) | ✔ | 5 | 54 | 3 | 0.0 | 0.005 | 0.701 | (0;000) | ✗ | 27/01/17 |
Ca(GeRh)2 | ICSD | 52760 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.013 | 0.621 | (1;111) | ✗ | 27/01/17 |
Ca(GeRu)2 | ICSD | 52761 | I4/mmm (139) | ✔ | 5 | 50 | 3 | 0.0 | 0.002 | 0.499 | (1;000) | ✗ | 27/01/17 |
CaZnGe | ICSD | 52772 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.183 | 0.172 | (0;000) | ✗ | 27/01/17 |
LiCaSb | ICSD | 52775 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.2069 | 0.231 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaSi2 | ICSD | 52789 | R-3m (166) | ✔ | 6 | 36 | 1 | 0.0 | 0.038 | 0.120 | (1;000) | ✗ | 27/01/17 |
CaZnSi | ICSD | 52791 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.382 | 0.187 | (0;000) | ✗ | 27/01/17 |
CaTe | ICSD | 52792 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 0.0 | 0.005 | 0.125 | (1;000) | ✗ | 27/01/17 |
CdCuSb | ICSD | 52796 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.000 | 0.318 | (1;000) | ✔ | 15/02/17 |
Cd(GaS2)2 | ICSD | 52801 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.2641 | 2.264 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cd(GaSe2)2 | ICSD | 52802 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.4403 | 1.440 | 0.000 | (0;000) | ✗ | 06/10/16 |