▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RbFeF4 | ICSD | 85500 | P2_12_12 (18) | ✗ | 24 | 180 | 1 | 0.0 | 0.004 | 0.465 | ? | ✗ | 04/08/17 |
Pb4IF7 | ICSD | 36337 | Cmcm (63) | ✔ | 24 | 224 | 2 | 2.5134 | 2.683 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaTiF4 | ICSD | 389 | Pbcn (60) | ✔ | 24 | 196 | 2 | 0.0 | 0.000 | 0.734 | (0;000) | ✗ | 04/08/17 |
KScF4 | ICSD | 72736 | C2/m (12) | ✔ | 24 | 192 | 1 | 6.402 | 6.402 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaSbF4 | ICSD | 24750 | P2_1/c (14) | ✔ | 24 | 168 | 2 | 4.2647 | 4.267 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaSbF4 | COD | 1530041 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 4.4558 | 4.560 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbMnF4 | ICSD | 73587 | P2_1/c (14) | ✔ | 24 | 208 | 1 | 0.0 | 0.008 | 0.119 | (0;000) | ✗ | 04/08/17 |
TaF5 | COD | 1528377 | C2/m (12) | ✔ | 24 | 192 | 2 | 5.8166 | 5.835 | 0.000 | (0;000) | ✗ | 04/08/17 |
WOF4 | COD | 1523521 | C2/m (12) | ✔ | 24 | 248 | 2 | 1.5645 | 1.567 | 0.000 | (0;000) | ✗ | 04/08/17 |
RuOF4 | ICSD | 417249 | P2_1/c (14) | ✔ | 24 | 200 | 3 | 0.4136 | 0.428 | 0.000 | (0;000) | ✗ | 04/08/17 |
OsOF4 | ICSD | 417246 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 0.67 | 0.670 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaVF4 | ICSD | 407013 | P2_1/c (14) | ✔ | 24 | 200 | 2 | 0.0 | 0.001 | 0.480 | (1;000) | ✗ | 04/08/17 |
RbTlF4 | ICSD | 4047 | Pca2_1 (29) | ✗ | 24 | 200 | 1 | 3.1437 | 3.213 | 0.000 | (0;000) | ✗ | 04/08/17 |
MoF5 | ICSD | 26644 | C2/m (12) | ✔ | 24 | 196 | 2 | 0.0 | 0.021 | 0.270 | (0;000) | ✗ | 04/08/17 |
TlSbF4 | COD | 1530522 | P2_1/c (14) | ✔ | 24 | 184 | 1 | 0.0 | 3.540 | 1.000 | (0;000) | ✗ | 04/08/17 |
HfBi2 | ICSD | 616683 | Pmnn (58) | ✔ | 24 | 176 | 3 | 0.0 | 0.000 | 0.396 | (1;000) | ✗ | 06/10/16 |
ZrFe2 | ICSD | 634194 | P6_3/mmc (194) | ✔ | 24 | 160 | 3 | 0.0 | 0.001 | 0.272 | (1;000) | ✗ | 04/08/17 |
CaMg2 | COD | 4313241 | P6_3/mmc (194) | ✔ | 24 | 240 | 1 | 0.0 | 0.001 | 0.755 | (1;000) | ✗ | 04/08/17 |
LiGeTe2 | ICSD | 35676 | P-1 (2) | ✔ | 24 | 114 | 1 | 0.3298 | 0.525 | 0.000 | (0;000) | ✗ | 04/08/17 |
ScFe2 | ICSD | 633417 | P6_3/mmc (194) | ✔ | 24 | 216 | 3 | 0.0 | 0.003 | 0.815 | (1;000) | ✗ | 04/08/17 |
MgGa2 | ICSD | 23226 | Pbam (55) | ✔ | 24 | 288 | 3 | 0.0 | 0.010 | 0.822 | (0;100) | ✗ | 04/08/17 |
Na3TaF8 | COD | 2017817 | C2/c (15) | ✔ | 24 | 192 | 1 | 5.1794 | 5.221 | 0.000 | (0;000) | ✗ | 04/08/17 |
K3TaF8 | COD | 2017527 | P6_3mc (186) | ✗ | 24 | 192 | 1 | 3.6455 | 3.650 | 0.000 | (0;000) | ✗ | 04/08/17 |
MnAgO4 | COD | 1010440 | Pnma (62) | ✔ | 24 | 200 | 3 | 0.0501 | 0.054 | 0.000 | (0;000) | ✗ | 04/08/17 |
HfFe2 | ICSD | 632249 | P6_3/mmc (194) | ✔ | 24 | 224 | 3 | 0.0 | 0.001 | 0.239 | (1;000) | ✗ | 04/08/17 |
KTe2F9 | ICSD | 84364 | P-1 (2) | ✔ | 24 | 168 | 1 | 4.6391 | 4.676 | 0.000 | (0;000) | ✗ | 04/08/17 |
In2Te | ICSD | 640618 | Pnnm (58) | ✔ | 24 | 256 | 3 | 0.0 | 0.019 | 0.909 | (1;000) | ✗ | 04/08/17 |
YFe3 | ICSD | 634092 | P6_3/mmc (194) | ✔ | 24 | 210 | 3 | 0.0 | 0.000 | 0.830 | (1;000) | ✗ | 04/08/17 |
YSeF | COD | 2106573 | P2_1/m (11) | ✔ | 24 | 192 | 3 | 2.0509 | 2.061 | 0.000 | (0;000) | ✗ | 04/08/17 |
FeMoO4 | ICSD | 43013 | C2/m (12) | ✔ | 24 | 184 | 3 | 0.4944 | 0.494 | 0.000 | (0;000) | ✗ | 04/08/17 |
HfFeSi2 | ICSD | 62614 | Immm (71) | ✔ | 24 | 168 | 3 | 0.0 | 0.004 | 0.322 | (0;000) | ✗ | 04/08/17 |
LiFe6Ge5 | COD | 7221260 | C2/m (12) | ✔ | 24 | 142 | 3 | 0.0 | 0.005 | 0.844 | (0;001) | ✗ | 04/08/17 |
FeMoO4 | ICSD | 43012 | C2/m (12) | ✔ | 24 | 184 | 3 | 0.2752 | 0.373 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2AgI3 | COD | 2105343 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.4092 | 2.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
K3FeO2 | COD | 1517825 | P4_12_12 (92) | ✗ | 24 | 188 | 2 | 0.0 | 0.000 | 0.445 | ? | ✗ | 04/08/17 |
SNF | COD | 2310697 | P-42_1c (114) | ✗ | 24 | 144 | 1 | 3.5409 | 3.846 | 0.000 | (0;000) | ✗ | 04/08/17 |
FePO4 | ICSD | 281079 | P2_1/c (14) | ✔ | 24 | 148 | 3 | 0.0 | 0.000 | 0.467 | (0;111) | ✗ | 04/08/17 |
FePO4 | COD | 1525576 | Pnma (62) | ✔ | 24 | 148 | 3 | 0.0 | 0.000 | 0.432 | (1;101) | ✗ | 04/08/17 |
FeSO4 | COD | 2216658 | Pnma (62) | ✔ | 24 | 152 | 3 | 0.1406 | 0.141 | 0.000 | (0;000) | ✗ | 04/08/17 |
FePO4 | ICSD | 290337 | Pnma (62) | ✔ | 24 | 148 | 3 | 0.0 | 0.001 | 0.184 | (1;011) | ✗ | 04/08/17 |
FeS | ICSD | 89381 | P2_1/c (14) | ✔ | 24 | 168 | 3 | 0.0 | 0.017 | 0.009 | (0;000) | ✗ | 04/08/17 |
FeSi2 | COD | 2106045 | Cmce (64) | ✔ | 24 | 128 | 3 | 0.7214 | 0.791 | 0.000 | (0;000) | ✗ | 04/08/17 |
FeS | COD | 9007651 | P-62c (190) | ✗ | 24 | 168 | 3 | 0.0 | 0.001 | 0.589 | ? | ✗ | 04/08/17 |
KGaI4 | ICSD | 400816 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.5195 | 2.585 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrGa4O7 | COD | 2002229 | C2/c (15) | ✔ | 24 | 208 | 3 | 2.8686 | 2.869 | 0.000 | (0;000) | ✗ | 04/08/17 |
V3Ga2N | ICSD | 60643 | P4_132 (213) | ✗ | 24 | 280 | 3 | 0.0 | 0.000 | 0.410 | ? | ✗ | 04/08/17 |
HfGa | COD | 1522450 | Pbcm (57) | ✔ | 24 | 300 | 3 | 0.0 | 0.000 | 0.699 | (1;000) | ✗ | 04/08/17 |
MgGaH4 | ICSD | 240696 | P2_1/c (14) | ✔ | 24 | 108 | 2 | 0.0 | 0.015 | 0.330 | (0;010) | ✗ | 04/08/17 |
Ga4SnS7 | COD | 4001920 | Pc (7) | ✗ | 24 | 216 | 3 | 2.3502 | 2.560 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr6Ga5N | ICSD | 77645 | R-3c (167) | ✔ | 24 | 260 | 1 | 0.0 | 0.007 | 0.357 | (1;000) | ✗ | 04/08/17 |
Ga4SnSe7 | COD | 4001921 | Pc (7) | ✗ | 24 | 216 | 3 | 1.7428 | 1.744 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr6GaN5 | COD | 4313276 | P6_3/mcm (193) | ✔ | 24 | 196 | 1 | 0.2726 | 0.273 | 0.000 | (0;000) | ✗ | 04/08/17 |
KGaSb4 | ICSD | 300158 | Pnma (62) | ✔ | 24 | 168 | 3 | 0.2385 | 0.239 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlGaI4 | ICSD | 419824 | P2_1/c (14) | ✔ | 24 | 216 | 1 | 2.4465 | 2.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiGaI4 | ICSD | 60850 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.3064 | 2.339 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr2LiGe3 | ICSD | 414575 | Pnnm (58) | ✔ | 24 | 140 | 1 | 0.0 | 0.008 | 0.920 | (1;000) | ✗ | 04/08/17 |
GaPS4 | ICSD | 2613 | P2_1/c (14) | ✔ | 24 | 168 | 2 | 2.1386 | 2.139 | 0.000 | (0;000) | ✗ | 04/08/17 |
Bi2Pt | ICSD | 58846 | Pbca (61) | ✔ | 24 | 160 | 3 | 0.0 | 0.018 | 0.258 | (1;000) | ✗ | 06/10/16 |
SrGe2 | ICSD | 152799 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.3597 | 0.594 | 0.000 | (0;000) | ✗ | 04/08/17 |
GaPt2 | COD | 1523391 | Pmma (51) | ✔ | 24 | 264 | 3 | 0.0 | 0.022 | 0.386 | (0;110) | ✗ | 04/08/17 |
MnGe2Pd3 | ICSD | 637060 | Pnma (62) | ✔ | 24 | 308 | 3 | 0.0 | 0.000 | 0.837 | (1;011) | ✗ | 04/08/17 |
KH3O2 | ICSD | 47114 | P2_1/c (14) | ✔ | 24 | 96 | 1 | 4.2058 | 4.232 | 0.000 | (0;000) | ✗ | 04/08/17 |
MgH2 | ICSD | 155811 | Pbca (61) | ✔ | 24 | 96 | 1 | 2.3202 | 2.320 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2GeS3 | ICSD | 653637 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 2.7259 | 2.726 | 0.000 | (0;000) | ✗ | 04/08/17 |
GeS2 | COD | 4123671 | I-42d (122) | ✗ | 24 | 128 | 3 | 2.4056 | 2.410 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2GeSe3 | ICSD | 49003 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.7979 | 1.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
GeTeRh | ICSD | 260373 | Pbca (61) | ✔ | 24 | 216 | 3 | 0.2684 | 0.277 | 0.000 | (0;000) | ✗ | 04/08/17 |
H2O | COD | 1011024 | Ibam (72) | ✔ | 24 | 64 | 2 | 0.0 | 0.002 | 0.187 | (0;000) | ✗ | 04/08/17 |
H2SeO3 | ICSD | 31929 | P2_12_12_1 (19) | ✗ | 24 | 104 | 1 | 4.6454 | 4.832 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ti3H2O7 | COD | 4336945 | C2/m (12) | ✔ | 24 | 160 | 3 | 1.9314 | 1.964 | 0.000 | (0;000) | ✗ | 04/08/17 |
In2Se | ICSD | 44646 | Pnnm (58) | ✔ | 24 | 256 | 3 | 0.0 | 0.003 | 0.830 | (1;000) | ✗ | 04/08/17 |
HfSb2 | ICSD | 66780 | Pnnm (58) | ✔ | 24 | 176 | 3 | 0.0 | 0.043 | 0.303 | (0;000) | ✗ | 04/08/17 |
HfZn2 | ICSD | 639018 | P6_3/mmc (194) | ✔ | 24 | 288 | 3 | 0.0 | 0.002 | 0.871 | (1;000) | ✗ | 04/08/17 |
HfO2 | ICSD | 79913 | Pbca (61) | ✔ | 24 | 192 | 3 | 4.3367 | 4.480 | 0.000 | (0;000) | ✗ | 04/08/17 |
KH8N3 | ICSD | 414496 | C222_1 (20) | ✗ | 24 | 64 | 1 | 2.6336 | 2.696 | 0.000 | (0;000) | ✗ | 04/08/17 |
HfMo2 | ICSD | 638615 | P6_3/mmc (194) | ✔ | 24 | 320 | 3 | 0.0 | 0.006 | 0.930 | (0;000) | ✗ | 04/08/17 |
HgPO4 | COD | 9008252 | P2_1/c (14) | ✔ | 24 | 164 | 2 | 0.0 | 0.006 | 0.481 | (1;000) | ✗ | 04/08/17 |
HgI2 | COD | 2103470 | P4_2/nmc (137) | ✔ | 24 | 208 | 3 | 1.0894 | 1.089 | 0.000 | (0;000) | ✗ | 04/08/17 |
Hg3Se4O5 | COD | 7005928 | P-1 (2) | ✔ | 24 | 180 | 3 | 1.9543 | 2.141 | 0.000 | (0;000) | ✗ | 04/08/17 |
Hg2SeO3 | ICSD | 412302 | P2_1/c (14) | ✔ | 24 | 192 | 3 | 2.3056 | 2.306 | 0.000 | (0;000) | ✗ | 04/08/17 |
Hg2SeO3 | ICSD | 412304 | Ibam (72) | ✔ | 24 | 192 | 3 | 2.4767 | 2.477 | 0.000 | (0;000) | ✗ | 04/08/17 |
Hg2SeO3 | ICSD | 412303 | Cmc2_1 (36) | ✗ | 24 | 192 | 3 | 2.4068 | 2.445 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg3Hg | COD | 1523435 | R32 (155) | ✗ | 24 | 252 | 3 | 0.0 | 0.002 | 0.649 | ? | ✗ | 04/08/17 |
ZrBi2 | ICSD | 42880 | Pmnn (58) | ✔ | 24 | 112 | 3 | 0.0 | 0.026 | 0.279 | (0;000) | ✗ | 06/10/16 |
HgI2 | COD | 9008155 | I4_1/amd (141) | ✔ | 24 | 208 | 3 | 1.2969 | 1.297 | 0.000 | (0;000) | ✗ | 04/08/17 |
In2Sn3S7 | ICSD | 68366 | P2_1/m (11) | ✔ | 24 | 220 | 3 | 0.0 | 0.197 | 0.102 | (0;000) | ✗ | 04/08/17 |
LiHS | COD | 1532751 | P4_2/mbc (135) | ✔ | 24 | 80 | 1 | 3.5998 | 3.600 | 0.000 | (0;000) | ✗ | 04/08/17 |
ReHgO4 | ICSD | 74885 | P2_1/c (14) | ✔ | 24 | 204 | 3 | 3.022 | 3.022 | 0.000 | (0;000) | ✗ | 04/08/17 |
YIn2Ni9 | ICSD | 192651 | P4/mbm (127) | ✔ | 24 | 254 | 3 | 0.0 | 0.000 | 0.798 | (1;110) | ✗ | 04/08/17 |
NaInI4 | ICSD | 65463 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.2385 | 2.239 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaI3O8 | ICSD | 418336 | P-4 (81) | ✗ | 24 | 156 | 2 | 3.3231 | 3.422 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrI2 | COD | 9008163 | Pbca (61) | ✔ | 24 | 192 | 1 | 3.674 | 3.674 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiInI4 | ICSD | 36599 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.0709 | 2.071 | 0.000 | (0;000) | ✗ | 04/08/17 |
ReI3 | ICSD | 25114 | P2_1/m (11) | ✔ | 24 | 216 | 2 | 0.7756 | 0.780 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiIO4 | ICSD | 400552 | P2_1/c (14) | ✔ | 24 | 136 | 1 | 2.6356 | 2.723 | 0.000 | (0;000) | ✗ | 04/08/17 |
H5C4N3 | COD | 2207775 | C2/c (15) | ✔ | 24 | 72 | 1 | 2.9527 | 2.971 | 0.000 | (0;000) | ✗ | 04/08/17 |
NbI5 | ICSD | 25503 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 0.0 | 0.045 | 0.106 | (0;000) | ✗ | 04/08/17 |
Mg3Ir | ICSD | 106871 | P6_3cm (185) | ✗ | 24 | 282 | 3 | 0.0 | 0.000 | 0.680 | ? | ✗ | 04/08/17 |
BaCN2 | ICSD | 75041 | R-3c (167) | ✔ | 24 | 144 | 1 | 0.723 | 0.994 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2SnTe3 | COD | 8101316 | Cmce (64) | ✔ | 24 | 200 | 1 | 0.8357 | 0.844 | 0.000 | (0;000) | ✗ | 04/08/17 |