▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AsO2 | COD | 9007637 | Pnma (62) | ✔ | 24 | 136 | 3 | 4.0181 | 4.167 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnB4O7 | COD | 1511503 | Cmcm (63) | ✔ | 24 | 132 | 3 | 5.6691 | 5.869 | 0.000 | (0;000) | ✗ | 04/08/17 |
Al2Ge2O7 | COD | 1001676 | C2/c (15) | ✔ | 22 | 112 | 3 | 3.942 | 3.942 | 0.000 | (0;000) | ✗ | 04/08/17 |
KAs | COD | 1527315 | Pbcm (57) | ✔ | 8 | 56 | 1 | 0.0 | 0.006 | 0.542 | (1;000) | ✗ | 04/08/17 |
Na2B2Se7 | COD | 1510772 | C2/c (15) | ✔ | 22 | 132 | 3 | 1.5748 | 1.694 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrB4O7 | COD | 1511501 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 4.9996 | 5.180 | 0.000 | (0;000) | ✗ | 04/08/17 |
AgBF4 | COD | 1509210 | Pnma (62) | ✔ | 24 | 168 | 3 | 3.0125 | 3.013 | 0.000 | (0;000) | ✗ | 04/08/17 |
Al2CuCl8 | COD | 1528015 | P2_1/c (14) | ✔ | 22 | 146 | 2 | 0.0 | 0.000 | 0.655 | (0;000) | ✗ | 04/08/17 |
NaAlCl4 | COD | 1004043 | P2_12_12_1 (19) | ✗ | 24 | 160 | 1 | 4.7141 | 4.714 | 0.000 | (0;000) | ✗ | 04/08/17 |
GeAsSe | COD | 1524563 | Pnna (52) | ✔ | 24 | 120 | 2 | 1.459 | 1.513 | 0.000 | (0;000) | ✗ | 04/08/17 |
KAuI4 | COD | 1510186 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 0.3927 | 0.397 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg3(BO3)2 | COD | 9011448 | Pnnm (58) | ✔ | 22 | 144 | 3 | 5.4059 | 5.724 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaB3H8 | COD | 4337144 | Pmn2_1 (31) | ✗ | 24 | 52 | 1 | 6.0511 | 6.152 | 0.000 | (0;000) | ✗ | 04/08/17 |
SnB4O7 | COD | 4001283 | Pmn2_1 (31) | ✗ | 24 | 136 | 3 | 3.5975 | 4.248 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag3F8 | COD | 4331408 | P2_1/c (14) | ✔ | 22 | 178 | 3 | 0.0 | 0.001 | 0.742 | (0;000) | ✗ | 04/08/17 |
Ag(AuF4)2 | COD | 1509209 | P2_1/c (14) | ✔ | 22 | 178 | 3 | 0.0 | 0.000 | 0.470 | (0;101) | ✗ | 04/08/17 |
K2AgI3 | COD | 2105343 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.4092 | 2.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
Tl3AgTe2 | COD | 7209352 | P2_1/c (14) | ✔ | 24 | 248 | 3 | 0.0 | 0.007 | 1.000 | (0;001) | ✗ | 04/08/17 |
SrAl4O7 | COD | 9007445 | C2/c (15) | ✔ | 24 | 128 | 3 | 3.7973 | 3.797 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiAlCl4 | COD | 1004036 | P2_1/c (14) | ✔ | 24 | 136 | 1 | 5.7046 | 5.732 | 0.000 | (0;000) | ✗ | 04/08/17 |
TaAlO4 | COD | 9004254 | Pbcn (60) | ✔ | 24 | 160 | 3 | 3.3363 | 3.479 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cu3As | COD | 1010982 | P-3c1 (165) | ✔ | 24 | 228 | 3 | 0.0 | 0.013 | 0.387 | (0;000) | ✗ | 04/08/17 |
KAuBr4 | COD | 2008114 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 0.9514 | 0.951 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiAuF4 | COD | 1510139 | P2/c (13) | ✔ | 24 | 168 | 1 | 2.1239 | 2.131 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sn2Au | COD | 1510306 | Pbca (61) | ✔ | 24 | 312 | 3 | 0.0 | 0.037 | 0.492 | (1;000) | ✗ | 04/08/17 |
K2B2Se7 | COD | 1510734 | C2/c (15) | ✔ | 22 | 132 | 2 | 1.7582 | 1.885 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr3(BO3)2 | COD | 1100067 | R-3c (167) | ✔ | 22 | 144 | 1 | 4.6712 | 4.688 | 0.000 | (0;000) | ✗ | 04/08/17 |
Tl2B2Se7 | COD | 1510832 | C2/c (15) | ✔ | 22 | 148 | 3 | 1.2078 | 1.298 | 0.000 | (0;000) | ✗ | 04/08/17 |
Zr(BH4)4 | COD | 1508533 | P-43m (215) | ✗ | 21 | 32 | 1 | 5.126 | 5.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
ScNiB4 | COD | 1511495 | Pbam (55) | ✔ | 24 | 132 | 3 | 0.0 | 0.016 | 0.670 | (0;000) | ✗ | 04/08/17 |
Ag2SeO3 | COD | 1509694 | P2_1/c (14) | ✔ | 24 | 184 | 3 | 1.8233 | 1.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag2Se | COD | 1509714 | P222_1 (17) | ✗ | 12 | 112 | 3 | 0.0 | 0.007 | 0.173 | ? | ✗ | 04/08/17 |
Al5V2Ge5 | COD | 7102714 | Cmcm (63) | ✔ | 24 | 122 | 3 | 0.0 | 0.000 | 0.921 | (0;000) | ✗ | 04/08/17 |
AgAsS2 | COD | 9008166 | R-3 (148) | ✔ | 24 | 168 | 3 | 1.3242 | 1.467 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cs2AgI3 | COD | 2310064 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.4755 | 2.476 | 0.000 | (0;000) | ✗ | 04/08/17 |
Fe2AgS3 | COD | 9013697 | P2_1/c (14) | ✔ | 24 | 180 | 3 | 0.0 | 0.034 | 0.198 | (1;000) | ✗ | 04/08/17 |
MnAgO4 | COD | 8103397 | P2_1/c (14) | ✔ | 24 | 200 | 3 | 0.7334 | 0.762 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlAgSe2 | COD | 1509541 | P-31m (162) | ✔ | 24 | 216 | 3 | 0.0 | 0.000 | 0.659 | (0;000) | ✗ | 04/08/17 |
Al3Mo | COD | 1522870 | Cm (8) | ✗ | 16 | 92 | 3 | 0.0 | 0.020 | 0.210 | ? | ✗ | 04/08/17 |
CaAl4O7 | COD | 3500014 | C2/c (15) | ✔ | 24 | 128 | 3 | 4.1612 | 4.161 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsAlCl4 | COD | 1004044 | Pnma (62) | ✔ | 24 | 160 | 1 | 5.6761 | 5.681 | 0.000 | (0;000) | ✗ | 04/08/17 |
KAlCl4 | COD | 1004038 | P2_1 (4) | ✗ | 24 | 160 | 1 | 5.4874 | 5.504 | 0.000 | (0;000) | ✗ | 04/08/17 |
KAlF4 | COD | 1000208 | P2_1/m (11) | ✔ | 24 | 160 | 1 | 7.1678 | 7.174 | 0.000 | (0;000) | ✗ | 04/08/17 |
KAlH4 | COD | 1532616 | Pnma (62) | ✔ | 24 | 64 | 1 | 5.0402 | 5.300 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsAs3O8 | COD | 2102799 | C2/c (15) | ✔ | 24 | 144 | 3 | 2.8495 | 2.850 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cd4Cu7As | COD | 4329802 | Pnnm (58) | ✔ | 24 | 260 | 3 | 0.0 | 0.011 | 0.349 | (1;000) | ✗ | 04/08/17 |
Ni(AuF4)2 | COD | 1510404 | P2_1/c (14) | ✔ | 22 | 176 | 3 | 0.0 | 0.022 | 0.147 | (0;000) | ✗ | 04/08/17 |
RbGa2Au3 | COD | 4329713 | Pnma (62) | ✔ | 24 | 272 | 3 | 0.0 | 0.019 | 0.321 | (1;000) | ✗ | 04/08/17 |
KAuCl4 | COD | 1510092 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 1.4946 | 1.495 | 0.000 | (0;000) | ✗ | 04/08/17 |
PAuCl4 | COD | 1510095 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.4563 | 2.502 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg3Au | COD | 1510235 | P-3c1 (165) | ✔ | 24 | 246 | 3 | 0.0 | 0.000 | 0.737 | (1;000) | ✗ | 04/08/17 |
Na3AuO2 | COD | 1510250 | P4_2/mnm (136) | ✔ | 24 | 200 | 1 | 1.9989 | 1.999 | 0.000 | (0;000) | ✗ | 04/08/17 |
Te2Au | COD | 1011091 | Pma2 (28) | ✗ | 24 | 184 | 3 | 0.0 | 0.002 | 0.593 | ? | ✗ | 04/08/17 |
K2B2S7 | COD | 1510733 | C2/c (15) | ✔ | 22 | 132 | 2 | 2.594 | 2.718 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na4B2O5 | COD | 1524718 | C2/c (15) | ✔ | 22 | 144 | 1 | 3.8345 | 3.860 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ni3(BO3)2 | COD | 9011451 | Pnnm (58) | ✔ | 22 | 144 | 3 | 0.0 | 0.005 | 0.412 | (1;000) | ✗ | 04/08/17 |
Rb2B2Se7 | COD | 1510813 | C2/c (15) | ✔ | 22 | 132 | 2 | 1.852 | 1.932 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr(BS2)2 | COD | 1511644 | R-3 (148) | ✔ | 21 | 120 | 1 | 2.9285 | 2.929 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaB4O7 | COD | 7209486 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 6.4573 | 6.760 | 0.000 | (0;000) | ✗ | 04/08/17 |
YCrB4 | COD | 1511723 | Pbam (55) | ✔ | 24 | 148 | 3 | 0.0 | 0.209 | 0.208 | (0;000) | ✗ | 04/08/17 |
HgB4O7 | COD | 7209503 | Pmn2_1 (31) | ✗ | 24 | 132 | 3 | 2.0827 | 2.216 | 0.000 | (0;000) | ✗ | 04/08/17 |
YB4Mo | COD | 1511488 | Pbam (55) | ✔ | 24 | 148 | 3 | 0.0 | 0.113 | 0.250 | (0;000) | ✗ | 04/08/17 |
HfAg2S3 | COD | 1509813 | Cmce (64) | ✔ | 24 | 208 | 3 | 1.0678 | 1.340 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag2SO3 | COD | 1509693 | P2_1/c (14) | ✔ | 24 | 184 | 3 | 2.6768 | 2.738 | 0.000 | (0;000) | ✗ | 04/08/17 |
SiAg2O3 | COD | 1509695 | P2_12_12_1 (19) | ✗ | 24 | 176 | 3 | 0.7676 | 0.773 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag2TeO3 | COD | 1509697 | P2_1/c (14) | ✔ | 24 | 184 | 3 | 1.6765 | 1.781 | 0.000 | (0;000) | ✗ | 04/08/17 |
KAg3S2 | COD | 7109277 | Fd-3m (227) | ✔ | 24 | 216 | 3 | 1.3823 | 1.510 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag3PSe4 | COD | 1510029 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.0 | 0.028 | 0.178 | ? | ✗ | 04/08/17 |
TlAg3S2 | COD | 1510039 | Pbcn (60) | ✔ | 24 | 232 | 3 | 0.5312 | 0.558 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag5IO6 | COD | 1509923 | R-3c (167) | ✔ | 24 | 196 | 3 | 0.0 | 0.007 | 0.096 | (0;000) | ✗ | 04/08/17 |
Cs2AgCl3 | COD | 2310063 | Pnma (62) | ✔ | 24 | 200 | 1 | 3.1119 | 3.112 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb2AgCl3 | COD | 2008760 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.9077 | 2.908 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsAgSe4 | COD | 1509283 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.2858 | 1.302 | 0.000 | (0;000) | ✗ | 04/08/17 |
Fe2AgS3 | COD | 9009340 | Cmce (64) | ✔ | 24 | 180 | 3 | 0.0 | 0.003 | 0.585 | (0;000) | ✗ | 04/08/17 |
Rb2AgI3 | COD | 1509392 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.3942 | 2.394 | 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 |
Nb3AgO8 | COD | 7209349 | Ibam (72) | ✔ | 24 | 196 | 3 | 1.6519 | 1.652 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbAgSe4 | COD | 1509517 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.1675 | 1.168 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ti7Al2O15 | COD | 1530641 | C2/m (12) | ✔ | 24 | 180 | 3 | 0.0 | 0.003 | 0.655 | (0;001) | ✗ | 04/08/17 |
Al3FeSi2 | COD | 2010455 | Pbcn (60) | ✔ | 24 | 100 | 3 | 0.0 | 0.000 | 0.483 | (1;110) | ✗ | 04/08/17 |
BaAl4S7 | COD | 1518017 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 3.0756 | 3.286 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaAl4Se7 | COD | 7015593 | Pc (7) | ✗ | 24 | 128 | 3 | 2.4123 | 2.412 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr4Mg3Al5 | COD | 4311323 | P6_3/mmc (194) | ✔ | 24 | 170 | 1 | 0.0 | 0.000 | 0.897 | (0;000) | ✗ | 04/08/17 |
Ca4Al6O13 | COD | 1527947 | I-43m (217) | ✗ | 23 | 136 | 3 | 3.3952 | 3.473 | 0.000 | (0;000) | ✗ | 04/08/17 |
AlCuCl4 | COD | 4322713 | Pna2_1 (33) | ✗ | 24 | 168 | 3 | 2.5852 | 2.585 | 0.000 | (0;000) | ✗ | 04/08/17 |
AlInCl4 | COD | 2206752 | Pnma (62) | ✔ | 24 | 176 | 1 | 4.1454 | 4.271 | 0.000 | (0;000) | ✗ | 04/08/17 |
AlNCl4 | COD | 9014852 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.003 | 0.198 | (0;000) | ✗ | 04/08/17 |
AlF3 | COD | 1000238 | Cmcm (63) | ✔ | 24 | 144 | 3 | 7.8409 | 7.841 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbAlF4 | COD | 1000457 | Pmmn (59) | ✔ | 24 | 160 | 1 | 7.3074 | 7.339 | 0.000 | (0;000) | ✗ | 04/08/17 |
AlH3 | COD | 4307206 | Pnnm (58) | ✔ | 24 | 36 | 3 | 3.0316 | 3.383 | 0.000 | (0;000) | ✗ | 04/08/17 |
NiAs2 | COD | 9000258 | Pbca (61) | ✔ | 24 | 160 | 3 | 0.0 | 0.008 | 0.281 | (0;000) | ✗ | 04/08/17 |
Sr(AsO4)2 | COD | 9014488 | P-1 (2) | ✔ | 22 | 136 | 1 | 0.0 | 0.006 | 0.500 | (1;000) | ✗ | 04/08/17 |
Cd(AsO4)4 | COD | 9014972 | P-1 (2) | ✔ | 21 | 128 | 2 | 0.0 | 0.005 | 0.517 | (0;100) | ✗ | 04/08/17 |
BiAsO4 | COD | 9011234 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 3.0064 | 3.123 | 0.000 | (0;000) | ✗ | 04/08/17 |
AsPO4 | COD | 9009805 | Pnma (62) | ✔ | 24 | 136 | 3 | 4.9731 | 5.116 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg(AuF4)2 | COD | 1510402 | P2_1/c (14) | ✔ | 22 | 176 | 3 | 2.1334 | 2.147 | 0.000 | (0;000) | ✗ | 04/08/17 |
Zn(AuF4)2 | COD | 1510406 | P2_1/c (14) | ✔ | 22 | 180 | 3 | 1.8997 | 1.965 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsGa2Au3 | COD | 4329714 | Pnma (62) | ✔ | 24 | 272 | 3 | 0.0 | 0.031 | 0.373 | (1;000) | ✗ | 04/08/17 |
Cd3Au | COD | 1510082 | P6_3cm (185) | ✗ | 24 | 282 | 3 | 0.0 | 0.000 | 0.689 | ? | ✗ | 04/08/17 |
Cr(B3H8)2 | COD | 4112987 | P-1 (2) | ✔ | 23 | 48 | 1 | 0.0 | 0.033 | 0.041 | (0;000) | ✗ | 04/08/17 |