▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CrGe | ICSD | 626099 | P2_13 (198) | ✗ | 8 | 72 | 3 | 0.0 | 0.000 | 0.680 | ? | ✗ | 15/02/17 |
Zr3S4 | ICSD | 651475 | Fd-3m (227) | ✔ | 14 | 72 | 3 | 0.0 | 0.000 | 0.543 | (0;000) | ✗ | 02/02/17 |
Ba2NaIO6 | ICSD | 425446 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 1.7866 | 1.787 | 0.000 | (0;000) | ✗ | 21/03/17 |
CdCu2SnS4 | ICSD | 619774 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.2835 | 0.284 | 0.000 | (0;000) | ✔ | 15/02/17 |
SrLiSb | COD | 1528545 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.4973 | 0.497 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbLiO | ICSD | 65170 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.4363 | 2.466 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAlSe2 | COD | 4321118 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.1395 | 3.140 | 0.000 | (0;000) | ✗ | 16/03/17 |
Rb2TiCl6 | COD | 1010193 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.2001 | 2.243 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiSe | ICSD | 652055 | R-3m (166) | ✔ | 8 | 72 | 3 | 0.0 | 0.012 | 0.693 | (1;000) | ✗ | 29/03/17 |
CdSnAs2 | ICSD | 22182 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.046 | 0.012 | (1;000) | ✔ | 16/03/17 |
YBi2IO4 | ICSD | 92432 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.112 | 1.388 | 0.000 | (0;000) | ✗ | 21/03/17 |
LiAlO2 | COD | 1008166 | P4_12_12 (92) | ✗ | 16 | 72 | 3 | 4.7545 | 4.755 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZrI2 | ICSD | 26418 | P2_1/m (11) | ✔ | 12 | 72 | 2 | 0.2968 | 0.407 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2S3 | COD | 1527164 | Cmc2_1 (36) | ✗ | 10 | 72 | 1 | 1.2787 | 1.345 | 0.000 | (0;000) | ✗ | 29/03/17 |
ZrI2 | ICSD | 24807 | Pmn2_1 (31) | ✗ | 12 | 72 | 2 | 0.173 | 0.239 | 0.000 | (0;000) | ✔ | 11/04/17 |
CrGeTe3 | ICSD | 79270 | R-3 (148) | ✔ | 10 | 72 | 2 | 0.0 | 0.031 | 0.084 | (1;111) | ✗ | 02/02/17 |
Tl2PdCl4 | COD | 1521908 | P4/mmm (123) | ✔ | 7 | 72 | 1 | 1.0199 | 1.472 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdCu2SnSe4 | ICSD | 619784 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.009 | 0.004 | (1;000) | ✔ | 15/02/17 |
Cs2Pt3S4 | ICSD | 26266 | Fmmm (69) | ✔ | 9 | 72 | 1 | 1.1613 | 1.421 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cu2SnHgSe4 | ICSD | 627936 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.003 | 0.004 | (1;000) | ✔ | 15/03/17 |
BaI2 | ICSD | 36210 | P-62m (189) | ✗ | 9 | 72 | 1 | 2.639 | 2.639 | 0.000 | (0;000) | ✗ | 21/03/17 |
TiAl2 | ICSD | 107009 | I4_1/amd (141) | ✔ | 12 | 72 | 3 | 0.0 | 0.003 | 0.599 | (1;111) | ✗ | 16/03/17 |
K2TiCl6 | ICSD | 26934 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.069 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
Al2Si2H4O9 | COD | 9009234 | P1 (1) | ✗ | 17 | 72 | 2 | 4.497 | 4.574 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnCu2SnSe4 | ICSD | 189278 | I-4 (82) | ✗ | 8 | 72 | 3 | 0.0 | 0.040 | 0.015 | (1;000) | ✔ | 15/02/17 |
GeF2 | COD | 1528938 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 4.0428 | 4.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaLiTe | ICSD | 67274 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.9514 | 1.951 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgH4WS4N | ICSD | 84370 | I-4 (82) | ✗ | 11 | 72 | 1 | 1.6977 | 1.953 | 0.000 | (0;000) | ✗ | 11/04/17 |
SbSeI | COD | 1008204 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.2091 | 1.322 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2Fe2S5 | ICSD | 32551 | R-3m (166) | ✔ | 9 | 72 | 2 | 0.1302 | 0.260 | 0.000 | (0;000) | ✗ | 22/03/17 |
KAl(SO4)2 | COD | 1011235 | P321 (150) | ✗ | 12 | 72 | 2 | 1.6616 | 1.732 | 0.000 | (0;000) | ✗ | 15/02/17 |
TlPS3 | ICSD | 658902 | Immm (71) | ✔ | 10 | 72 | 1 | 1.7134 | 1.720 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnF3 | ICSD | 19080 | C2/c (15) | ✔ | 8 | 72 | 3 | 0.0 | 0.021 | 0.280 | (0;000) | ✗ | 04/08/17 |
CaV2O6 | ICSD | 21064 | C2/m (12) | ✔ | 9 | 72 | 1 | 2.8183 | 2.818 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cu2SnHgS4 | ICSD | 627929 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0081 | 0.008 | 0.000 | (0;000) | ✔ | 22/03/17 |
PH2NO4 | ICSD | 76970 | I-42d (122) | ✗ | 16 | 72 | 3 | 0.0 | 0.004 | 0.269 | (1;000) | ✔ | 29/03/17 |
TiBe3 | ICSD | 616451 | R-3m (166) | ✔ | 12 | 72 | 3 | 0.0 | 0.003 | 0.794 | (1;000) | ✗ | 21/03/17 |
BeSiN2 | ICSD | 25704 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 5.07 | 5.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
CsZn4P3 | ICSD | 262031 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0592 | 0.059 | 0.000 | (0;000) | ✗ | 07/04/17 |
SiCl2 | ICSD | 85526 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 2.0261 | 2.091 | 0.000 | (0;000) | ✗ | 22/03/17 |
NbFeB | COD | 1511130 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.809 | ? | ✗ | 15/02/17 |
ZnSnP2 | ICSD | 648168 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.9472 | 0.947 | 0.000 | (0;000) | ✗ | 15/02/17 |
SbSBr | COD | 1521208 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.6118 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na | ICSD | 159431 | I-43d (220) | ✗ | 8 | 72 | 3 | 0.0 | 0.000 | 0.516 | ? | ✗ | 15/02/17 |
Hg | ICSD | 15902 | P2_1/c (14) | ✔ | 6 | 72 | 3 | 1.6952 | 1.722 | 0.000 | (0;000) | ✗ | 02/02/17 |
B2O3 | COD | 1510796 | P3_121 (152) | ✗ | 15 | 72 | 3 | 6.5637 | 6.789 | 0.000 | (0;000) | ✗ | 15/02/17 |
Rb | ICSD | 109016 | I4/mmm (139) | ✔ | 8 | 72 | 1 | 0.0 | 0.004 | 0.759 | (0;111) | ✗ | 02/02/17 |
Zn(NCl)2 | COD | 9015876 | Imma (74) | ✔ | 10 | 72 | 1 | 0.0 | 0.000 | 0.771 | (1;000) | ✗ | 02/02/17 |
ZnSnSb2 | ICSD | 651588 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.008 | 0.020 | (1;000) | ✔ | 29/03/17 |
TlSbO3 | ICSD | 77329 | R-3 (148) | ✔ | 10 | 72 | 3 | 0.8714 | 0.960 | 0.000 | (0;000) | ✗ | 29/03/17 |
Pd(SeBr3)2 | ICSD | 405774 | P-1 (2) | ✔ | 9 | 72 | 1 | 1.2955 | 1.324 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiSiNO | ICSD | 34106 | Pca2_1 (29) | ✗ | 16 | 72 | 1 | 5.3934 | 5.555 | 0.000 | (0;000) | ✗ | 15/02/17 |
TeO2 | COD | 1520934 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 3.0222 | 3.190 | 0.000 | (0;000) | ✗ | 15/02/17 |
RbZn4As3 | ICSD | 262038 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.021 | 0.003 | (0;001) | ✗ | 07/04/17 |
TcCl3 | COD | 4329156 | C2/m (12) | ✔ | 8 | 72 | 2 | 0.0 | 0.014 | 1.000 | (1;000) | ✗ | 22/03/17 |
RbZn4P3 | ICSD | 262039 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.1514 | 0.151 | 0.000 | (0;000) | ✗ | 07/04/17 |
Be(HO)2 | COD | 9014803 | P2_12_12_1 (19) | ✗ | 20 | 72 | 1 | 5.5045 | 5.505 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2S3 | COD | 1527162 | Cmc2_1 (36) | ✗ | 10 | 72 | 1 | 1.3067 | 1.366 | 0.000 | (0;000) | ✗ | 29/03/17 |
CsZn4As3 | ICSD | 262030 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.0 | 0.040 | 0.073 | (0;001) | ✗ | 07/04/17 |
H2CO | ICSD | 151343 | R3c (161) | ✗ | 24 | 72 | 3 | 6.4755 | 6.532 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZrGePt | COD | 8103046 | Pnma (62) | ✔ | 12 | 72 | 3 | 0.0 | 0.038 | 0.071 | (1;000) | ✗ | 02/02/17 |
GaCuSe2 | ICSD | 42097 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1417 | 0.142 | 0.000 | (0;000) | ✔ | 15/02/17 |
Cs | ICSD | 57192 | P4_2/mbc (135) | ✔ | 8 | 72 | 3 | 0.0 | 0.013 | 0.468 | (0;000) | ✗ | 02/02/17 |
H4C3N4 | COD | 2012828 | P-1 (2) | ✔ | 22 | 72 | 1 | 2.1696 | 2.279 | 0.000 | (0;000) | ✗ | 04/08/17 |
Pd(SCl3)2 | ICSD | 39434 | P-1 (2) | ✔ | 9 | 72 | 1 | 1.4965 | 1.500 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr3Te | ICSD | 81539 | I-4 (82) | ✗ | 16 | 72 | 3 | 0.0 | 0.005 | 0.568 | ? | ✗ | 29/03/17 |
Rb2Pt3S4 | ICSD | 26267 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.9917 | 1.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
SeO2 | ICSD | 99464 | Pmc2_1 (26) | ✗ | 12 | 72 | 2 | 3.521 | 3.788 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiAl | ICSD | 262064 | Cmce (64) | ✔ | 24 | 72 | 2 | 0.0 | 0.004 | 0.581 | (0;000) | ✗ | 04/08/17 |
ZnCu2SnTe4 | ICSD | 656156 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.006 | 0.078 | (1;000) | ✔ | 22/03/17 |
Cs | COD | 9011642 | Cmce (64) | ✔ | 8 | 72 | 3 | 0.0 | 0.010 | 0.573 | (1;110) | ✗ | 02/02/17 |
CN | COD | 2310460 | Pbca (61) | ✔ | 16 | 72 | 1 | 5.2499 | 5.250 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnS | COD | 9013409 | P6_3mc (186) | ✗ | 8 | 72 | 3 | 2.1423 | 2.142 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiAlS2 | ICSD | 608360 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.9378 | 3.938 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cs2Te3 | ICSD | 53245 | Cmc2_1 (36) | ✗ | 10 | 72 | 1 | 0.2695 | 0.326 | 0.000 | (0;000) | ✔ | 22/03/17 |
CsCd4As3 | ICSD | 262029 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.2198 | 0.220 | 0.000 | (0;000) | ✗ | 07/04/17 |
MgIn2 | ICSD | 423608 | Fd-3m (227) | ✔ | 6 | 72 | 3 | 0.0 | 0.000 | 0.566 | (0;000) | ✗ | 02/02/17 |
InCuTe2 | ICSD | 73352 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.010 | 0.012 | (0;000) | ✔ | 22/03/17 |
Ni(BW)2 | ICSD | 615069 | Immm (71) | ✔ | 5 | 72 | 3 | 0.0 | 0.116 | 0.039 | (1;000) | ✗ | 11/04/17 |
K | ICSD | 157573 | I4/mcm (140) | ✔ | 8 | 72 | 3 | 0.0 | 0.003 | 0.840 | (0;111) | ✗ | 02/02/17 |
AgI | COD | 2105342 | P6_3mc (186) | ✗ | 8 | 72 | 2 | 0.7513 | 0.751 | 0.000 | (0;000) | ✗ | 16/03/17 |
Cu2SnHgTe4 | ICSD | 656158 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.009 | 0.048 | (1;000) | ✔ | 22/03/17 |
ZnCu2SnS4 | ICSD | 262388 | I-4 (82) | ✗ | 8 | 72 | 3 | 0.2908 | 0.291 | 0.000 | (0;000) | ✔ | 15/02/17 |
AlF3 | COD | 1010414 | P321 (150) | ✗ | 12 | 72 | 2 | 0.6871 | 0.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnAg2SnS4 | ICSD | 605734 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.021 | 0.007 | (1;000) | ✔ | 16/03/17 |
KAs4ClO6 | ICSD | 65205 | P6/mmm (191) | ✔ | 12 | 72 | 1 | 3.35 | 3.425 | 0.000 | (0;000) | ✗ | 30/01/17 |
GaAgS2 | ICSD | 156126 | I-42d (122) | ✗ | 8 | 72 | 3 | 1.1606 | 1.161 | 0.000 | (0;000) | ✗ | 07/10/16 |
GaAgSe2 | ICSD | 156127 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.4613 | 0.465 | 0.000 | (0;000) | ✔ | 07/10/16 |
GaAgTe2 | ICSD | 156128 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1402 | 0.140 | 0.000 | (0;000) | ✔ | 07/10/16 |
InAgS2 | ICSD | 156129 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.4129 | 0.413 | 0.000 | (0;000) | ✔ | 07/10/16 |
InAgSe2 | ICSD | 28751 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.034 | 0.023 | (1;000) | ✔ | 07/10/16 |
InAgTe2 | ICSD | 104476 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1067 | 0.107 | 0.000 | (0;000) | ✔ | 07/10/16 |
YMgAl | ICSD | 160908 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.002 | 0.313 | (0;000) | ✔ | 28/10/16 |
YAlNi | ICSD | 160935 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.901 | ? | ✗ | 06/10/16 |
Mg2P2O7 | COD | 1530318 | C2/m (12) | ✔ | 11 | 72 | 3 | 4.5221 | 4.522 | 0.000 | (0;000) | ✗ | 27/01/17 |
YAlNi | ICSD | 608947 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.898 | ? | ✗ | 06/10/16 |
YAlNi | ICSD | 608957 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.898 | ? | ✗ | 06/10/16 |
CdSnAs2 | ICSD | 16737 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.046 | 0.008 | (1;000) | ✔ | 07/10/16 |
ZnSnAs2 | ICSD | 18203 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.013 | 0.004 | (1;000) | ✔ | 07/10/16 |
YAlPd | ICSD | 156923 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.900 | ? | ✗ | 06/10/16 |