▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ca3SiBr2 | ICSD | 89545 | Cm (8) | ✗ | 6 | 48 | 1 | 0.0 | 0.001 | 0.512 | ? | ✗ | 06/10/16 |
ZrSiCuAs | ICSD | 42165 | P4/nmm (129) | ✔ | 8 | 48 | 3 | 0.0 | 0.015 | 0.079 | (0;001) | ✗ | 05/01/17 |
YClO | COD | 9009190 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 4.19 | 4.190 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2S | ICSD | 91283 | P2_1nb (33) | ✗ | 12 | 48 | 1 | 2.808 | 3.650 | 0.000 | (0;000) | ✗ | 06/10/16 |
KMgAs | ICSD | 610753 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.1304 | 1.165 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgCl2 | ICSD | 51244 | Pmmb (51) | ✔ | 6 | 48 | 2 | 0.0 | 0.007 | 0.196 | (0;000) | ✗ | 06/10/16 |
NaMgAs | COD | 9008321 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.9367 | 0.937 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgCl2 | ICSD | 51247 | P-1 (2) | ✔ | 6 | 48 | 3 | 2.4906 | 2.491 | 0.000 | (0;000) | ✗ | 06/10/16 |
PdCl2 | ICSD | 30209 | Pmnn (58) | ✔ | 6 | 48 | 1 | 0.7678 | 1.190 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2N2O | ICSD | 202830 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2062 | 5.206 | 0.000 | (0;000) | ✗ | 06/10/16 |
PtCl2 | ICSD | 44512 | Pnnm (58) | ✔ | 6 | 48 | 1 | 0.946 | 1.300 | 0.000 | (0;000) | ✗ | 27/01/17 |
CrSb2 | COD | 9012573 | Pnnm (58) | ✔ | 6 | 48 | 3 | 0.0 | 0.003 | 0.370 | (0;000) | ✗ | 27/01/17 |
Si2N2O | ICSD | 202831 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2688 | 5.269 | 0.000 | (0;000) | ✗ | 06/10/16 |
LaCl3 | ICSD | 23146 | P2_1/m (11) | ✔ | 8 | 48 | 3 | 4.3718 | 4.372 | 0.000 | (0;000) | ✗ | 06/10/16 |
PH2NO2 | ICSD | 26929 | Cmme (67) | ✔ | 12 | 48 | 1 | 0.0 | 0.006 | 0.301 | (0;000) | ✗ | 27/01/17 |
P2W | ICSD | 37223 | Ccm2_1 (36) | ✗ | 6 | 48 | 3 | 0.0 | 0.442 | 0.255 | (1;000) | ✔ | 04/10/16 |
CrSb2 | ICSD | 246891 | Pmnn (58) | ✔ | 6 | 48 | 3 | 0.0 | 0.000 | 0.365 | (1;101) | ✗ | 06/10/16 |
Zr3(Al2C3)2 | ICSD | 173677 | R3m (160) | ✗ | 13 | 48 | 3 | 0.0 | 0.010 | 0.526 | ? | ✗ | 06/10/16 |
HfB12 | ICSD | 614421 | Fm-3m (225) | ✔ | 13 | 48 | 3 | 0.0 | 0.000 | 0.835 | (0;000) | ✗ | 05/01/17 |
MgF2 | COD | 1526229 | P4_2/mnm (136) | ✔ | 6 | 48 | 3 | 7.2358 | 7.236 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgF2 | ICSD | 191439 | Pmnn (58) | ✔ | 6 | 48 | 3 | 7.9375 | 7.938 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgF2 | ICSD | 51243 | P-1 (2) | ✔ | 6 | 48 | 1 | 0.7823 | 1.004 | 0.000 | (0;000) | ✗ | 06/10/16 |
NiF2 | ICSD | 34307 | Pmnn (58) | ✔ | 6 | 48 | 3 | 0.0 | 0.017 | 0.293 | (0;000) | ✗ | 06/10/16 |
LaF3 | ICSD | 167553 | Pmmn (59) | ✔ | 8 | 48 | 3 | 6.5026 | 6.822 | 0.000 | (0;000) | ✗ | 06/10/16 |
SF6 | ICSD | 214 | Im-3m (229) | ✔ | 7 | 48 | 1 | 8.4913 | 8.491 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2N2O | ICSD | 200248 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.4012 | 5.420 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReB3 | ICSD | 24361 | P6_3/mmc (194) | ✔ | 8 | 48 | 3 | 0.0 | 0.012 | 0.698 | (1;000) | ✗ | 05/01/17 |
K2PdO2 | ICSD | 6158 | Immm (71) | ✔ | 5 | 48 | 2 | 1.4517 | 1.708 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbHF2 | ICSD | 45859 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 6.8504 | 6.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScGa | ICSD | 103954 | Cmcm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.003 | 0.442 | (1;000) | ✗ | 06/10/16 |
SiB4 | ICSD | 615435 | R-3m (166) | ✔ | 15 | 48 | 3 | 0.6561 | 1.387 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiCdHg2 | ICSD | 58987 | P4/mmm (123) | ✔ | 4 | 48 | 3 | 0.0 | 0.011 | 0.583 | (0;000) | ✗ | 27/01/17 |
YGa | ICSD | 104030 | Cmcm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.001 | 0.461 | (1;000) | ✗ | 06/10/16 |
B6O | COD | 1511635 | R-3m (166) | ✔ | 14 | 48 | 3 | 1.679 | 1.679 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrAs2 | ICSD | 43898 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.022 | 0.319 | (0;000) | ✔ | 05/01/17 |
K2PdS2 | ICSD | 641296 | Immm (71) | ✔ | 5 | 48 | 1 | 1.1239 | 1.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PdSe2 | ICSD | 641298 | Immm (71) | ✔ | 5 | 48 | 1 | 0.8935 | 1.406 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Te2Pd | ICSD | 641302 | Immm (71) | ✔ | 5 | 48 | 3 | 0.5189 | 1.084 | 0.000 | (0;000) | ✗ | 27/01/17 |
KHF2 | COD | 1010380 | I4/mcm (140) | ✔ | 8 | 48 | 2 | 6.0591 | 6.586 | 0.000 | (0;000) | ✗ | 27/01/17 |
KHF2 | COD | 1009029 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 7.1061 | 7.160 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ni2Ge | ICSD | 637346 | P6_3/mmc (194) | ✔ | 6 | 48 | 3 | 0.0 | 0.005 | 0.733 | (0;000) | ✗ | 06/10/16 |
ReNCl4 | ICSD | 419181 | I4 (79) | ✗ | 6 | 48 | 2 | 1.0756 | 1.276 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReNCl4 | ICSD | 10126 | P1 (1) | ✗ | 6 | 48 | 1 | 1.098 | 1.204 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2ZrO4 | ICSD | 39707 | I4/mmm (139) | ✔ | 7 | 48 | 3 | 2.3896 | 2.397 | 0.000 | (0;000) | ✗ | 05/01/17 |
MoAs2 | ICSD | 16820 | C2 (5) | ✗ | 6 | 48 | 3 | 0.0 | 0.044 | 0.308 | (0;000) | ✔ | 06/10/16 |
Ba2ZrS4 | ICSD | 69853 | I4/mmm (139) | ✔ | 7 | 48 | 2 | 0.3275 | 0.328 | 0.000 | (0;000) | ✗ | 05/01/17 |
YSF | ICSD | 250885 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 1.2867 | 1.287 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaBrF | COD | 9011174 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 4.6989 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaClF | COD | 1530187 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.4116 | 5.412 | 0.000 | (0;000) | ✗ | 05/01/17 |
YOF | COD | 2106385 | R-3m (166) | ✔ | 6 | 48 | 3 | 4.9065 | 4.907 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiSe | ICSD | 42596 | R3m (160) | ✗ | 6 | 48 | 3 | 0.0 | 0.000 | 0.474 | (1;000) | ✔ | 06/10/16 |
Si2N2O | ICSD | 169120 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.299 | 5.332 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba(MnGe)2 | ICSD | 404 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.0 | 0.001 | 0.733 | (0;000) | ✗ | 05/01/17 |
Si2N2O | ICSD | 200247 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.3458 | 5.346 | 0.000 | (0;000) | ✗ | 06/10/16 |
KMgSb | COD | 9008327 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.0987 | 1.115 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaMgGe | COD | 9008328 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.0 | 0.001 | 0.176 | (1;001) | ✗ | 05/01/17 |
BaMgSi | COD | 9008329 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.0 | 0.008 | 0.169 | (1;001) | ✗ | 05/01/17 |
BaZrN2 | ICSD | 74905 | P4/nmm (129) | ✔ | 8 | 48 | 1 | 0.8105 | 0.816 | 0.000 | (0;000) | ✗ | 05/01/17 |
KN3 | COD | 1010391 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.4493 | 4.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
KN3 | COD | 2310495 | I4/mcm (140) | ✔ | 8 | 48 | 3 | 0.0 | 0.007 | 0.710 | (0;111) | ✗ | 27/01/17 |
YOF | ICSD | 76426 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 2.122 | 2.228 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiF2 | COD | 2100984 | P4_2/mnm (136) | ✔ | 6 | 48 | 3 | 0.0 | 0.016 | 0.431 | (0;000) | ✗ | 27/01/17 |
SiO2 | ICSD | 100341 | P3_221 (154) | ✗ | 9 | 48 | 3 | 6.0022 | 6.297 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNaO | ICSD | 32743 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.318 | 2.413 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiO2 | ICSD | 153453 | P3_1 (144) | ✗ | 9 | 48 | 0 | 5.9943 | 6.284 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaPb | ICSD | 616019 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.089 | 0.120 | (0;110) | ✗ | 05/01/17 |
PNF2 | ICSD | 9684 | Cmc2_1 (36) | ✗ | 8 | 48 | 1 | 6.3002 | 6.301 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiO2 | ICSD | 154289 | P3_121 (152) | ✗ | 9 | 48 | 3 | 5.9953 | 6.285 | 0.000 | (0;000) | ✗ | 06/10/16 |
Fe3Se4 | COD | 1527086 | C2/m (12) | ✔ | 7 | 48 | 3 | 0.0 | 0.011 | 0.354 | (1;000) | ✗ | 27/01/17 |
LaI3 | ICSD | 31596 | Cmcm (63) | ✔ | 8 | 48 | 2 | 1.1147 | 1.359 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3BN3 | COD | 1511018 | P4/mmm (123) | ✔ | 7 | 48 | 1 | 0.4803 | 0.491 | 0.000 | (0;000) | ✗ | 05/01/17 |
SiO2 | ICSD | 162612 | P6_222 (180) | ✗ | 9 | 48 | 3 | 5.633 | 5.840 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2S | ICSD | 412535 | Cmcm (63) | ✔ | 6 | 48 | 1 | 2.7895 | 2.790 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe3Se4 | ICSD | 633484 | C2/m (12) | ✔ | 7 | 48 | 2 | 0.0 | 0.012 | 0.755 | (0;111) | ✗ | 27/01/17 |
SiO2 | ICSD | 170513 | R3 (146) | ✗ | 9 | 48 | 0 | 5.7129 | 5.713 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnGaNi2 | ICSD | 167566 | I4/mmm (139) | ✔ | 4 | 48 | 3 | 0.0 | 0.003 | 0.606 | (0;111) | ✗ | 06/10/16 |
CaCl2 | ICSD | 51238 | Pm2_1n (31) | ✗ | 6 | 48 | 1 | 0.051 | 0.084 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiBeN | ICSD | 402341 | P2_1/c (14) | ✔ | 12 | 48 | 1 | 2.7254 | 2.963 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaF2 | ICSD | 51239 | Pmc2_1 (26) | ✗ | 6 | 48 | 1 | 6.5997 | 6.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2SeO2 | ICSD | 411143 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.2634 | 1.044 | 0.000 | (0;000) | ✗ | 05/01/17 |
SiO2 | ICSD | 93975 | P6_422 (181) | ✗ | 9 | 48 | 3 | 5.9324 | 6.151 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2Pd | COD | 9012857 | I4/mmm (139) | ✔ | 3 | 48 | 2 | 0.0 | 0.384 | 0.383 | (1;000) | ✗ | 05/01/17 |
Bi2TeSe2 | COD | 9004849 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.1758 | 0.318 | 0.000 | (1;000) | ✗ | 05/01/17 |
Bi2Se3 | COD | 9011965 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2711 | 0.347 | 0.000 | (1;000) | ✗ | 05/01/17 |
Bi2Te2Se | ICSD | 43512 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2809 | 0.290 | 0.000 | (1;000) | ✗ | 05/01/17 |
Bi2Te2S | COD | 9008043 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2724 | 0.346 | 0.000 | (1;000) | ✗ | 05/01/17 |
Bi2Te3 | COD | 9011962 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.1253 | 0.128 | 0.000 | (1;000) | ✗ | 05/01/17 |
MoPt | ICSD | 644148 | Pmmb (51) | ✔ | 4 | 48 | 3 | 0.0 | 0.067 | 0.517 | (0;101) | ✗ | 06/10/16 |
Mg3BN3 | COD | 2100976 | Pmmm (47) | ✔ | 7 | 48 | 3 | 0.0 | 0.006 | 0.131 | (1;000) | ✗ | 27/01/17 |
Si2Os | ICSD | 647776 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.447 | 0.105 | (0;000) | ✔ | 27/01/17 |
Ge2N2O | ICSD | 169121 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 4.0068 | 4.143 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge2N2O | ICSD | 200839 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9473 | 3.241 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge2N2O | ICSD | 200840 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 3.0994 | 3.406 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge2N2O | ICSD | 200841 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 3.0081 | 3.306 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge2N2O | ICSD | 200842 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9053 | 3.235 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge2N2O | ICSD | 200843 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9558 | 3.277 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3SiBr2 | COD | 1521781 | I4/mmm (139) | ✔ | 6 | 48 | 1 | 0.0 | 0.005 | 0.315 | (0;111) | ✗ | 27/01/17 |
Ge2N2O | ICSD | 200844 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.8949 | 3.231 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3SiBr2 | COD | 1521782 | Immm (71) | ✔ | 6 | 48 | 1 | 0.0 | 0.012 | 0.022 | (1;000) | ✗ | 27/01/17 |
Ca3SiBr2 | COD | 1521783 | P-3m1 (164) | ✔ | 6 | 48 | 1 | 0.0 | 0.005 | 0.399 | (0;000) | ✗ | 27/01/17 |