▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NO2 | COD | 1010516 | I2_13 (199) | ✗ | 18 | 102 | 3 | 0.0 | 0.000 | 0.859 | ? | ✗ | 29/03/17 |
FeSeCl7 | ICSD | 39529 | P1 (1) | ✗ | 18 | 126 | 1 | 0.0 | 0.004 | 0.516 | ? | ✗ | 22/03/17 |
Ti7Al2O15 | COD | 1530641 | C2/m (12) | ✔ | 24 | 180 | 3 | 0.0 | 0.003 | 0.655 | (0;001) | ✗ | 04/08/17 |
Hf3Al3C5 | ICSD | 161587 | P6_3/mmc (194) | ✔ | 22 | 130 | 3 | 0.0 | 0.000 | 0.997 | (1;000) | ✗ | 04/08/17 |
Bi10Mo3 | COD | 2104405 | C2/m (12) | ✔ | 13 | 192 | 1 | 0.0 | 0.007 | 0.526 | (1;000) | ✗ | 21/03/17 |
NaFeO2 | ICSD | 186309 | Pna2_1 (33) | ✗ | 16 | 116 | 3 | 0.0 | 0.000 | 0.554 | ? | ✗ | 22/03/17 |
Mn5SiB2 | ICSD | 614772 | I4/mcm (140) | ✔ | 16 | 170 | 3 | 0.0 | 0.000 | 0.865 | (1;000) | ✗ | 21/03/17 |
Mn6Si7 | ICSD | 643625 | R-3m (166) | ✔ | 13 | 118 | 3 | 0.0 | 0.000 | 0.548 | (1;000) | ✗ | 29/03/17 |
Zr5Sn3S | ICSD | 656296 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.004 | 0.229 | (0;000) | ✗ | 02/02/17 |
CsVF4 | ICSD | 167354 | Pmmn (59) | ✔ | 24 | 200 | 2 | 0.0 | 0.002 | 0.402 | (0;000) | ✗ | 04/08/17 |
YSnPd | ICSD | 424012 | Pnma (62) | ✔ | 12 | 172 | 3 | 0.0 | 0.002 | 0.722 | (0;011) | ✗ | 29/03/17 |
RbLiCrO4 | ICSD | 72549 | P31c (159) | ✗ | 14 | 100 | 1 | 0.0 | 0.022 | 0.177 | (0;000) | ✔ | 22/03/17 |
Y3AlNi8 | ICSD | 608946 | P6_3/mmc (194) | ✔ | 24 | 232 | 3 | 0.0 | 0.002 | 0.768 | (1;000) | ✗ | 04/08/17 |
Na2MnP2O7F3 | ICSD | 424943 | P1 (1) | ✗ | 15 | 106 | 1 | 0.0 | 0.012 | 0.059 | (1;100) | ✔ | 11/04/17 |
TaNiTe5 | ICSD | 73314 | Cmcm (63) | ✔ | 14 | 106 | 2 | 0.0 | 0.000 | 0.918 | (0;110) | ✗ | 02/02/17 |
ZnAg2GeO4 | ICSD | 81328 | Pc (7) | ✗ | 16 | 124 | 3 | 0.0 | 0.152 | 0.012 | (0;000) | ✔ | 26/04/17 |
Ba2In2O5 | COD | 1522063 | Ima2 (46) | ✗ | 18 | 152 | 3 | 0.0 | 0.007 | 0.243 | (0;111) | ✔ | 26/04/17 |
In(TeMo)3 | ICSD | 640025 | P6_3/m (176) | ✔ | 14 | 146 | 3 | 0.0 | 0.000 | 0.527 | (1;000) | ✗ | 24/04/17 |
Co(BW)3 | COD | 1510898 | Cmcm (63) | ✔ | 14 | 220 | 3 | 0.0 | 0.011 | 0.418 | (0;110) | ✗ | 11/04/17 |
YMnB4 | ICSD | 614788 | Pbam (55) | ✔ | 24 | 152 | 3 | 0.0 | 0.012 | 0.469 | (1;000) | ✗ | 04/08/17 |
Y4InIr | ICSD | 418567 | F-43m (216) | ✗ | 24 | 296 | 3 | 0.0 | 0.015 | 0.421 | ? | ✗ | 04/08/17 |
Ta2Te3 | ICSD | 41047 | C2/m (12) | ✔ | 10 | 88 | 3 | 0.0 | 0.027 | 0.380 | (0;111) | ✗ | 02/02/17 |
Mg2Pb | ICSD | 642744 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.031 | 0.506 | (1;000) | ✗ | 02/02/17 |
Fe2C | COD | 9014589 | Pnma (62) | ✔ | 24 | 160 | 3 | 0.0 | 0.010 | 0.343 | (0;000) | ✗ | 04/08/17 |
SrZn | ICSD | 652893 | Pnma (62) | ✔ | 8 | 88 | 1 | 0.0 | 0.008 | 0.518 | (1;000) | ✗ | 02/02/17 |
Ba3CrS5 | COD | 1533192 | P6_3cm (185) | ✗ | 18 | 148 | 1 | 0.0 | 0.000 | 0.838 | ? | ✗ | 21/03/17 |
Tl5Te3 | ICSD | 604388 | I-4 (82) | ✗ | 16 | 166 | 3 | 0.0 | 0.009 | 1.000 | ? | ✗ | 10/04/17 |
HfSiRu | ICSD | 638840 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.025 | 0.625 | ? | ✗ | 29/03/17 |
TaCo3 | ICSD | 24581 | R-3m (166) | ✔ | 12 | 192 | 3 | 0.0 | 0.007 | 0.944 | (1;111) | ✗ | 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 |
Fe(CuS)2 | COD | 9003727 | F-43m (216) | ✗ | 20 | 168 | 3 | 0.0 | 0.000 | 0.813 | ? | ✗ | 22/03/17 |
Sr5Tl3 | ICSD | 652883 | I4/mcm (140) | ✔ | 16 | 178 | 1 | 0.0 | 0.002 | 0.707 | (1;111) | ✗ | 02/02/17 |
SiO2 | ICSD | 77681 | P6_222 (180) | ✗ | 9 | 48 | 3 | 0.0 | 0.010 | 0.422 | ? | ✗ | 15/02/17 |
Y3Co2 | COD | 2106563 | Pnnm (58) | ✔ | 20 | 268 | 3 | 0.0 | 0.001 | 0.808 | (1;101) | ✗ | 22/03/17 |
CaAsPt | ICSD | 60828 | I4_1md (109) | ✗ | 18 | 150 | 3 | 0.0 | 0.000 | 0.945 | ? | ✗ | 11/04/17 |
LiV(SiO3)2 | COD | 9008443 | C2/c (15) | ✔ | 20 | 120 | 3 | 0.0 | 0.008 | 0.185 | (1;000) | ✗ | 02/02/17 |
Mn3SiIr | ICSD | 151749 | P2_13 (198) | ✗ | 20 | 264 | 3 | 0.0 | 0.001 | 0.472 | ? | ✗ | 29/03/17 |
YCrB4 | COD | 1511723 | Pbam (55) | ✔ | 24 | 148 | 3 | 0.0 | 0.209 | 0.208 | (0;000) | ✗ | 04/08/17 |
K(MoS)3 | ICSD | 641249 | P6_3/m (176) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.286 | (0;000) | ✗ | 24/04/17 |
K2(CuTe)5 | ICSD | 71204 | Cmcm (63) | ✔ | 24 | 206 | 1 | 0.0 | 0.000 | 0.992 | (1;000) | ✗ | 04/08/17 |
SrAg | COD | 2105352 | Pnma (62) | ✔ | 16 | 168 | 1 | 0.0 | 0.002 | 0.669 | (0;000) | ✗ | 16/03/17 |
ZnSnSb2 | ICSD | 651588 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.008 | 0.020 | (1;000) | ✔ | 29/03/17 |
K2RbMn2F7 | ICSD | 410707 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.013 | 0.728 | (0;000) | ✗ | 22/03/17 |
NbSe2 | COD | 2310534 | P-6m2 (187) | ✗ | 12 | 100 | 1 | 0.0 | 0.000 | 0.950 | ? | ✗ | 29/03/17 |
Ba(InAu)2 | COD | 4308151 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.006 | 0.938 | (0;000) | ✗ | 21/03/17 |
Tl2CdSnTe4 | COD | 4000658 | I-42m (121) | ✗ | 8 | 76 | 3 | 0.0 | 0.255 | 0.021 | (0;000) | ✔ | 22/03/17 |
ScSnPd | ICSD | 418976 | P-62c (190) | ✗ | 18 | 258 | 3 | 0.0 | 0.000 | 0.486 | ? | ✗ | 29/03/17 |
CuClF10 | COD | 1529596 | P2_1/c (14) | ✔ | 24 | 176 | 2 | 0.0 | 0.002 | 0.108 | (0;000) | ✗ | 04/08/17 |
HfGa | COD | 1522450 | Pbcm (57) | ✔ | 24 | 300 | 3 | 0.0 | 0.000 | 0.699 | (1;000) | ✗ | 04/08/17 |
Fe(BW)2 | ICSD | 614261 | Immm (71) | ✔ | 5 | 70 | 3 | 0.0 | 0.045 | 0.291 | (1;000) | ✗ | 11/04/17 |
Sc2Pt | COD | 2106085 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.015 | 0.299 | (0;000) | ✗ | 02/02/17 |
Tl(TeMo)3 | COD | 1521172 | P6_3/m (176) | ✔ | 14 | 146 | 3 | 0.0 | 0.000 | 0.290 | (0;000) | ✗ | 02/02/17 |
LiFe6Ge5 | COD | 7221260 | C2/m (12) | ✔ | 24 | 142 | 3 | 0.0 | 0.005 | 0.844 | (0;001) | ✗ | 04/08/17 |
Zn5Co2 | ICSD | 240090 | C2/m (12) | ✔ | 14 | 188 | 3 | 0.0 | 0.011 | 0.371 | (0;111) | ✗ | 22/03/17 |
CrWO4 | ICSD | 36213 | F222 (22) | ✗ | 24 | 264 | 3 | 0.0 | 0.000 | 0.694 | ? | ✗ | 04/08/17 |
Na(TeMo)3 | ICSD | 604501 | P6_3/m (176) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.308 | (0;000) | ✗ | 24/04/17 |
Te2Rh | ICSD | 650452 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.732 | (1;111) | ✗ | 02/02/17 |
PbWO2 | COD | 5910060 | I4_1/a (88) | ✔ | 16 | 160 | 3 | 0.0 | 0.057 | 0.623 | (1;111) | ✗ | 29/03/17 |
Mn5B2P | ICSD | 109111 | I4/mcm (140) | ✔ | 16 | 172 | 3 | 0.0 | 0.001 | 0.755 | (1;111) | ✗ | 21/03/17 |
BaFeCuF7 | COD | 1000216 | Cc (9) | ✗ | 20 | 156 | 3 | 0.0 | 0.009 | 0.016 | (0;000) | ✔ | 21/03/17 |
Co3SiW2 | ICSD | 625123 | P6_3/mmc (194) | ✔ | 12 | 222 | 3 | 0.0 | 0.000 | 0.794 | (0;000) | ✗ | 11/04/17 |
Ta6S | ICSD | 202564 | P-1 (2) | ✔ | 14 | 168 | 3 | 0.0 | 0.020 | 0.355 | (1;100) | ✗ | 02/02/17 |
MnCu2GeS4 | ICSD | 415453 | Pmn2_1 (31) | ✗ | 16 | 130 | 3 | 0.0 | 0.000 | 0.813 | ? | ✗ | 22/03/17 |
RbP(HO2)2 | ICSD | 54873 | Fdd2 (43) | ✗ | 16 | 80 | 3 | 0.0 | 0.006 | 0.019 | (1;000) | ✔ | 28/03/17 |
Li3As | ICSD | 610785 | P-3c1 (165) | ✔ | 24 | 84 | 1 | 0.0 | 0.021 | 0.028 | (0;000) | ✗ | 04/08/17 |
RbZn4As3 | ICSD | 262038 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.021 | 0.003 | (0;001) | ✗ | 07/04/17 |
Al5V2Ge5 | COD | 7102714 | Cmcm (63) | ✔ | 24 | 122 | 3 | 0.0 | 0.000 | 0.921 | (0;000) | ✗ | 04/08/17 |
Te2Au | COD | 9011456 | Pc (7) | ✗ | 12 | 92 | 3 | 0.0 | 0.134 | 0.109 | (0;000) | ✔ | 26/04/17 |
TiS3 | ICSD | 81124 | R3m (160) | ✗ | 4 | 30 | 1 | 0.0 | 0.000 | 0.227 | (0;000) | ✔ | 11/04/17 |
CsFeF4 | ICSD | 6043 | P4/nmm (129) | ✔ | 24 | 180 | 1 | 0.0 | 0.001 | 0.659 | (0;001) | ✗ | 04/08/17 |
TaSe3 | ICSD | 651959 | P2_1/m (11) | ✔ | 24 | 186 | 3 | 0.0 | 0.000 | 0.964 | (1;010) | ✗ | 04/08/17 |
ReSe2 | ICSD | 650091 | P-6m2 (187) | ✗ | 12 | 108 | 1 | 0.0 | 0.000 | 0.801 | ? | ✗ | 29/03/17 |
Rb3Mn2Cl7 | ICSD | 30081 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.006 | 0.842 | (0;000) | ✗ | 22/03/17 |
Tl(FeTe)3 | COD | 1524707 | P6_3/m (176) | ✔ | 14 | 110 | 3 | 0.0 | 0.000 | 0.815 | (1;000) | ✗ | 02/02/17 |
Ti2FeO5 | COD | 2002318 | Cmcm (63) | ✔ | 16 | 124 | 3 | 0.0 | 0.006 | 0.214 | (1;000) | ✗ | 22/03/17 |
Na5MnO4 | ICSD | 47101 | Pmn2_1 (31) | ✗ | 20 | 168 | 1 | 0.0 | 0.009 | 0.285 | (1;001) | ✔ | 11/04/17 |
TiNi | ICSD | 150627 | P-1 (2) | ✔ | 12 | 132 | 3 | 0.0 | 0.012 | 0.909 | (1;001) | ✗ | 29/03/17 |
Tl2CdGeTe4 | COD | 4000657 | I-42m (121) | ✗ | 8 | 66 | 3 | 0.0 | 0.139 | 0.086 | (0;000) | ✔ | 22/03/17 |
Bi4Te2Br2O9 | ICSD | 79508 | Pmm2 (25) | ✗ | 17 | 140 | 1 | 0.0 | 0.086 | 0.192 | (0;000) | ✔ | 26/04/17 |
Ba2FeSe3 | ICSD | 615861 | Pnma (62) | ✔ | 24 | 184 | 1 | 0.0 | 0.003 | 0.935 | (1;000) | ✗ | 04/08/17 |
W2C | ICSD | 619097 | P-3m1 (164) | ✔ | 3 | 60 | 3 | 0.0 | 0.098 | 0.530 | (0;000) | ✗ | 11/04/17 |
Ta2O7 | COD | 9014281 | Fd-3m (227) | ✔ | 18 | 136 | 3 | 0.0 | 0.000 | 0.488 | (0;000) | ✗ | 02/02/17 |
YO2 | COD | 1528091 | P2_1/c (14) | ✔ | 12 | 92 | 3 | 0.0 | 0.003 | 0.446 | (0;010) | ✗ | 02/02/17 |
Zr9Ni11 | COD | 1523714 | I4/m (87) | ✔ | 20 | 146 | 3 | 0.0 | 0.002 | 0.507 | (0;111) | ✗ | 29/03/17 |
Li2MoF6 | COD | 2101133 | P4_22_12 (94) | ✗ | 18 | 124 | 1 | 0.0 | 0.004 | 0.142 | (0;000) | ✔ | 11/04/17 |
MnWO4 | COD | 9013910 | P2/c (13) | ✔ | 12 | 134 | 3 | 0.0 | 0.000 | 0.730 | (1;100) | ✗ | 11/04/17 |
Y5Tl3 | ICSD | 653334 | P6_3/mcm (193) | ✔ | 16 | 188 | 3 | 0.0 | 0.005 | 0.456 | (0;000) | ✗ | 02/02/17 |
YB4Rh | ICSD | 419358 | Pbam (55) | ✔ | 24 | 160 | 3 | 0.0 | 0.021 | 0.343 | (1;000) | ✗ | 04/08/17 |
SrSO4 | ICSD | 100624 | Pnma (62) | ✔ | 24 | 160 | 2 | 0.0 | 0.003 | 0.307 | (1;000) | ✗ | 04/08/17 |
HfCr2 | ICSD | 626144 | P6_3/mmc (194) | ✔ | 24 | 320 | 3 | 0.0 | 0.002 | 0.970 | (1;000) | ✗ | 04/08/17 |
Ca2Fe9O13 | COD | 1524840 | C2/m (12) | ✔ | 24 | 170 | 3 | 0.0 | 0.006 | 0.586 | (1;111) | ✗ | 04/08/17 |
TaFeTe3 | COD | 2002027 | P2_1 (4) | ✗ | 10 | 78 | 3 | 0.0 | 0.001 | 0.821 | ? | ✗ | 22/03/17 |
Rb3Na(WO4)2 | ICSD | 191959 | P-3m1 (164) | ✔ | 14 | 112 | 1 | 0.0 | 0.000 | 1.000 | (1;000) | ✗ | 29/03/17 |
BaAsPt | ICSD | 59192 | P2_13 (198) | ✗ | 12 | 100 | 3 | 0.0 | 0.000 | 0.396 | (0;111) | ✔ | 26/04/17 |
ScFeB4 | ICSD | 614180 | Pbam (55) | ✔ | 24 | 124 | 3 | 0.0 | 0.003 | 0.524 | (0;000) | ✗ | 04/08/17 |
AlBW | COD | 4343329 | Cmcm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.097 | 0.225 | (1;110) | ✗ | 11/04/17 |
Sr8In4Cu3N5 | ICSD | 96350 | Immm (71) | ✔ | 20 | 190 | 1 | 0.0 | 0.058 | 0.628 | (0;000) | ✗ | 22/03/17 |
Sn4Ir | ICSD | 412573 | I4_1/acd (142) | ✔ | 20 | 292 | 3 | 0.0 | 0.003 | 0.491 | (1;111) | ✗ | 29/03/17 |
VP2O7 | COD | 1530205 | I-42d (122) | ✗ | 20 | 130 | 3 | 0.0 | 0.000 | 0.889 | ? | ✗ | 29/03/17 |
CsGa3 | COD | 1525535 | I-4m2 (119) | ✗ | 12 | 144 | 3 | 0.0 | 0.104 | 0.100 | (0;000) | ✔ | 26/04/17 |