▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Na3AlAs2 | ICSD | 63149 | Ibam (72) | ✔ | 12 | 80 | 1 | 0.9112 | 1.002 | 0.000 | (0;000) | ✗ | 30/01/17 |
CaAl(OF2)2 | COD | 9002262 | P-1 (2) | ✔ | 16 | 106 | 1 | 0.0 | 0.001 | 0.405 | (1;110) | ✗ | 30/01/17 |
LiCaAlF6 | COD | 9012618 | P-31c (163) | ✔ | 18 | 116 | 1 | 7.9393 | 7.963 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr | ICSD | 109026 | I4/mcm (140) | ✔ | 4 | 40 | 1 | 0.0 | 0.005 | 0.557 | (0;000) | ✗ | 27/01/17 |
AlTl2F5 | COD | 1010159 | Cmcm (63) | ✔ | 16 | 128 | 1 | 3.7681 | 3.802 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na2LiAlF6 | COD | 2013037 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 7.3657 | 7.366 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr3AlO4F | ICSD | 50736 | I4/mcm (140) | ✔ | 18 | 128 | 1 | 4.2152 | 4.582 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2LiAlH6 | ICSD | 245318 | R-3m (166) | ✔ | 20 | 60 | 1 | 2.586 | 2.909 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2LiAlP2 | ICSD | 77275 | Ibam (72) | ✔ | 12 | 68 | 1 | 1.9439 | 2.255 | 0.000 | (0;000) | ✗ | 30/01/17 |
Fe | COD | 4113940 | P4/mmm (123) | ✔ | 1 | 8 | 1 | 0.0 | 0.001 | 0.297 | (0;000) | ✗ | 27/01/17 |
AlTlSe2 | COD | 7221238 | I4/mcm (140) | ✔ | 8 | 56 | 1 | 0.25 | 0.277 | 0.000 | (0;000) | ✗ | 30/01/17 |
K5As2Au | COD | 1008878 | P6_3/mmc (194) | ✔ | 16 | 132 | 1 | 0.3454 | 0.345 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba2GeAs2 | ICSD | 35151 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 0.5906 | 0.728 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba4As2O | ICSD | 33905 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.5273 | 0.527 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba(GaAs)2 | COD | 4316405 | P2_1/c (14) | ✔ | 20 | 184 | 1 | 1.3257 | 1.368 | 0.000 | (0;000) | ✗ | 30/01/17 |
K4BeAs2 | ICSD | 300111 | R-3m (166) | ✔ | 7 | 50 | 1 | 0.8884 | 0.888 | 0.000 | (0;000) | ✗ | 30/01/17 |
K3BAs2 | ICSD | 300105 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.3279 | 1.768 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs2SiAs2 | COD | 1008523 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.1343 | 1.444 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs2SnAs2 | COD | 1008524 | Ibam (72) | ✔ | 10 | 84 | 1 | 1.0186 | 1.361 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2NaGaAs2 | ICSD | 300129 | Ibam (72) | ✔ | 12 | 100 | 1 | 0.8897 | 0.890 | 0.000 | (0;000) | ✗ | 30/01/17 |
K4HgAs2 | ICSD | 402573 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.7813 | 0.781 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2NaInAs2 | ICSD | 300137 | Ibam (72) | ✔ | 12 | 100 | 1 | 0.6694 | 0.669 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2As2Pd | ICSD | 32009 | Cmcm (63) | ✔ | 10 | 92 | 1 | 0.6777 | 0.686 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2As2Pt | ICSD | 610762 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.2624 | 0.291 | 0.000 | (0;000) | ✗ | 30/01/17 |
As2O3 | COD | 4513566 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 4.1418 | 4.179 | 0.000 | (0;000) | ✗ | 30/01/17 |
Rb2As2Pt | ICSD | 107529 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.364 | 0.394 | 0.000 | (0;000) | ✗ | 30/01/17 |
Rb2SiAs2 | ICSD | 60617 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.0031 | 1.379 | 0.000 | (0;000) | ✗ | 30/01/17 |
As2S3 | COD | 9015549 | P-1 (2) | ✔ | 20 | 112 | 1 | 1.7681 | 2.000 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba2Cd2As3 | COD | 7024287 | C2/m (12) | ✔ | 14 | 118 | 1 | 0.0 | 0.032 | 0.018 | (0;000) | ✗ | 30/01/17 |
Cs2As3 | ICSD | 409382 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.4415 | 0.442 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr5As3H | COD | 4002404 | P6_3/mcm (193) | ✔ | 18 | 132 | 1 | 0.7644 | 0.836 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr2Zn2As3 | COD | 4328428 | C2/m (12) | ✔ | 14 | 118 | 1 | 0.1356 | 0.139 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr5As3 | ICSD | 44067 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.492 | (0;000) | ✗ | 30/01/17 |
KAs4ClO6 | ICSD | 65205 | P6/mmm (191) | ✔ | 12 | 72 | 1 | 3.35 | 3.425 | 0.000 | (0;000) | ✗ | 30/01/17 |
As4S5 | COD | 9012102 | P2_1/m (11) | ✔ | 18 | 100 | 1 | 1.7978 | 2.005 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ca3AsBr3 | ICSD | 426 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.5395 | 1.540 | 0.000 | (0;000) | ✗ | 30/01/17 |
As(BrF2)3 | ICSD | 33811 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.7771 | 1.828 | 0.000 | (0;000) | ✗ | 30/01/17 |
P | ICSD | 647901 | R-3m (166) | ✔ | 2 | 10 | 1 | 0.0 | 0.027 | 0.163 | (0;000) | ✗ | 27/01/17 |
AsClF8 | ICSD | 23775 | C2/c (15) | ✔ | 20 | 136 | 1 | 3.8415 | 3.876 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs2NaAsO4 | ICSD | 36533 | P2_1/m (11) | ✔ | 16 | 112 | 1 | 4.104 | 4.122 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2CuAs | ICSD | 43936 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.1211 | 1.224 | 0.000 | (0;000) | ✗ | 30/01/17 |
SbAsF8 | COD | 1533113 | P2_1/m (11) | ✔ | 20 | 132 | 1 | 4.5459 | 4.676 | 0.000 | (0;000) | ✗ | 30/01/17 |
AsI3 | COD | 9008098 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9735 | 2.033 | 0.000 | (0;000) | ✗ | 30/01/17 |
KAsO2 | ICSD | 413149 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.8754 | 3.965 | 0.000 | (0;000) | ✗ | 30/01/17 |
LiAsO3 | COD | 2310602 | C2/c (15) | ✔ | 20 | 104 | 1 | 3.7525 | 3.801 | 0.000 | (0;000) | ✗ | 30/01/17 |
SrLiAs | COD | 4335613 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.996 | 0.996 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na3As | COD | 1010293 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.0712 | 0.071 | 0.000 | (0;000) | ✗ | 30/01/17 |
AsS | COD | 9015797 | C2/c (15) | ✔ | 16 | 88 | 1 | 1.7512 | 1.920 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr3Au2 | COD | 1510468 | R-3 (148) | ✔ | 15 | 156 | 1 | 0.0 | 0.005 | 0.428 | (0;000) | ✗ | 30/01/17 |
K2BiAu | ICSD | 380341 | Cmcm (63) | ✔ | 8 | 88 | 1 | 0.8724 | 1.008 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbAuBr3 | COD | 1510367 | C2/m (12) | ✔ | 10 | 82 | 1 | 0.7922 | 0.849 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsAuCl4 | ICSD | 423233 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.8939 | 1.944 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbAuCl4 | COD | 8103425 | C2/c (15) | ✔ | 12 | 96 | 1 | 2.0009 | 2.007 | 0.000 | (0;000) | ✗ | 30/01/17 |
TeAuCl7 | COD | 7209382 | P-1 (2) | ✔ | 18 | 132 | 1 | 1.6215 | 1.787 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na4I2O | COD | 9007749 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 2.299 | 2.299 | 0.000 | (0;000) | ✗ | 30/01/17 |
SrMnPF | ICSD | 189939 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.872 | (0;001) | ✗ | 27/01/17 |
NaI | COD | 9008681 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.3039 | 3.304 | 0.000 | (0;000) | ✗ | 30/01/17 |
IN | COD | 9014835 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.034 | 0.639 | (0;000) | ✗ | 30/01/17 |
IN | COD | 9015547 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.005 | 0.477 | (1;111) | ✗ | 30/01/17 |
I | COD | 1512512 | Cmce (64) | ✔ | 4 | 28 | 1 | 0.7424 | 0.768 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbI | ICSD | 61523 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.0742 | 3.078 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsAuSe | COD | 1510104 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.5866 | 1.850 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3Ge4Au | COD | 1510174 | Pmmn (59) | ✔ | 16 | 108 | 1 | 0.709 | 0.813 | 0.000 | (0;000) | ✗ | 02/02/17 |
K5Au(IO)2 | ICSD | 40376 | Pbam (55) | ✔ | 20 | 164 | 1 | 1.9228 | 1.959 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbAuI3 | COD | 2206809 | C2/m (12) | ✔ | 10 | 82 | 1 | 0.64 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAuI4 | COD | 1510187 | P2_1/c (14) | ✔ | 12 | 84 | 1 | 0.4995 | 0.624 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SbAu | ICSD | 380340 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.863 | 0.965 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3AuSe2 | COD | 8103427 | R-3c (167) | ✔ | 12 | 100 | 1 | 2.0665 | 2.145 | 0.000 | (0;000) | ✗ | 02/02/17 |
K5P2Au | COD | 1008880 | P6_3/mmc (194) | ✔ | 16 | 132 | 1 | 0.5298 | 0.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNa2AuO2 | ICSD | 61226 | Pnnm (58) | ✔ | 12 | 100 | 1 | 1.9334 | 1.963 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAu(S2O7)2 | ICSD | 422909 | P-1 (2) | ✔ | 20 | 122 | 1 | 2.371 | 2.380 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbNa2AuO2 | ICSD | 411460 | Pnnm (58) | ✔ | 12 | 100 | 1 | 2.0377 | 2.050 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3AuS2 | COD | 1510251 | R-3c (167) | ✔ | 12 | 100 | 1 | 2.363 | 2.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4TlAu | ICSD | 107428 | Fmmm (69) | ✔ | 12 | 120 | 1 | 0.0 | 0.010 | 0.653 | (0;000) | ✗ | 02/02/17 |
PAuS4 | COD | 1510268 | P-1 (2) | ✔ | 12 | 80 | 1 | 1.0351 | 1.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3Sn4Au | ICSD | 107445 | Pmmn (59) | ✔ | 16 | 188 | 1 | 0.0 | 0.027 | 0.226 | (1;000) | ✗ | 02/02/17 |
RbTeAu | COD | 1510283 | Pmma (51) | ✔ | 6 | 52 | 1 | 0.7785 | 0.779 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2B2S5 | COD | 1510745 | Cmcm (63) | ✔ | 18 | 84 | 1 | 2.4066 | 2.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4Na(BN2)3 | ICSD | 401210 | Im-3m (229) | ✔ | 14 | 88 | 1 | 2.0643 | 2.504 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr4Li(BN2)3 | ICSD | 402173 | Im-3m (229) | ✔ | 14 | 82 | 1 | 2.0978 | 2.998 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaSr4(BN2)3 | ICSD | 92577 | Im-3m (229) | ✔ | 14 | 88 | 1 | 2.009 | 2.830 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2P7Br | ICSD | 426194 | P2_1/m (11) | ✔ | 20 | 124 | 1 | 1.4878 | 1.780 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Cd2Sb3 | COD | 7024288 | C2/m (12) | ✔ | 14 | 118 | 1 | 0.0 | 0.020 | 0.063 | (1;110) | ✗ | 02/02/17 |
Ba2P7Cl | ICSD | 426193 | P2_1/m (11) | ✔ | 20 | 124 | 1 | 1.3959 | 1.770 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsBa2Cr2F11 | ICSD | 167093 | I4/mmm (139) | ✔ | 16 | 134 | 1 | 0.0 | 0.001 | 0.756 | (1;000) | ✗ | 02/02/17 |
Ba2CuF6 | COD | 7221242 | Cmce (64) | ✔ | 18 | 146 | 1 | 0.0 | 0.000 | 0.956 | (0;110) | ✗ | 02/02/17 |
Ba2PdF6 | COD | 1521027 | Cmce (64) | ✔ | 18 | 160 | 1 | 1.8177 | 1.818 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2InO3F | ICSD | 81876 | P4/nmm (129) | ✔ | 14 | 116 | 1 | 2.2156 | 2.759 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2GaGeN | COD | 1005040 | P2_1/m (11) | ✔ | 10 | 84 | 1 | 0.0 | 0.214 | 0.062 | (0;000) | ✗ | 02/02/17 |
Ba2Ge(TeSe)2 | ICSD | 414165 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.8686 | 0.869 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2GeSe4 | ICSD | 414166 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 1.4911 | 1.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2In | ICSD | 261714 | Pnma (62) | ✔ | 12 | 132 | 1 | 0.0 | 0.000 | 0.462 | (1;011) | ✗ | 02/02/17 |
Ba2P7I | ICSD | 426195 | P2_1/m (11) | ✔ | 20 | 124 | 1 | 1.6064 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2LiReN4 | ICSD | 411453 | P2_1/m (11) | ✔ | 16 | 116 | 1 | 1.9097 | 1.910 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Mg17 | ICSD | 150735 | R-3m (166) | ✔ | 19 | 190 | 1 | 0.0 | 0.012 | 0.675 | (0;000) | ✗ | 02/02/17 |
Ba2NaO | ICSD | 411905 | Cmme (67) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.537 | (0;001) | ✗ | 02/02/17 |
Ba2Pb | ICSD | 416561 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.0261 | 0.029 | 0.000 | (1;000) | ✗ | 02/02/17 |
Ba2Si | ICSD | 52698 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.011 | 0.022 | (1;000) | ✗ | 02/02/17 |
Ba2SiTe4 | ICSD | 49751 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.9821 | 1.021 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3CaRu2O9 | ICSD | 152482 | P-3m1 (164) | ✔ | 15 | 126 | 1 | 0.0 | 0.010 | 0.267 | (1;001) | ✗ | 02/02/17 |