▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba(InAu)2 | COD | 4308151 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.006 | 0.938 | (0;000) | ✗ | 21/03/17 |
Si2N2O | ICSD | 200248 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.4012 | 5.420 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(AuF6)2 | COD | 1510369 | P-4m2 (115) | ✗ | 15 | 116 | 1 | 1.7901 | 1.888 | 0.000 | (0;000) | ✗ | 21/03/17 |
Cs2Sn(AuS2)2 | ICSD | 408685 | Fddd (70) | ✔ | 18 | 156 | 1 | 1.9636 | 2.036 | 0.000 | (0;000) | ✗ | 12/04/17 |
Cs2Au2Se3 | COD | 4027824 | C2/c (15) | ✔ | 14 | 116 | 1 | 1.449 | 1.456 | 0.000 | (0;000) | ✗ | 21/03/17 |
CsAu2F7 | ICSD | 152057 | C2/c (15) | ✔ | 20 | 160 | 1 | 2.0658 | 2.094 | 0.000 | (0;000) | ✗ | 21/03/17 |
Sr(InAu)2 | COD | 4308152 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.009 | 0.886 | (0;000) | ✗ | 21/03/17 |
CoCN2 | COD | 4307548 | P6_3/mmc (194) | ✔ | 8 | 62 | 3 | 0.0 | 0.000 | 0.753 | (0;000) | ✗ | 27/01/17 |
Sr5(AuO4)2 | COD | 2002552 | F222 (22) | ✗ | 15 | 120 | 3 | 0.8956 | 0.898 | 0.000 | (0;000) | ✗ | 21/03/17 |
Y2SnAu2 | ICSD | 130047 | P4_2/mnm (136) | ✔ | 20 | 232 | 3 | 0.0 | 0.013 | 0.477 | (0;000) | ✗ | 21/03/17 |
Si2N2O | ICSD | 200249 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.4106 | 5.413 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2N2O | ICSD | 200250 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.3926 | 5.393 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaN2 | ICSD | 280681 | C2/c (15) | ✔ | 6 | 40 | 1 | 0.0 | 0.007 | 0.652 | (0;000) | ✔ | 06/10/16 |
CrF2 | ICSD | 31827 | P2_1/c (14) | ✔ | 6 | 56 | 3 | 0.0 | 0.025 | 0.421 | (0;000) | ✔ | 06/10/16 |
Rb5Au3O2 | COD | 1510508 | Pbam (55) | ✔ | 20 | 180 | 1 | 0.6586 | 0.689 | 0.000 | (0;000) | ✗ | 21/03/17 |
Y3Sb4Au3 | COD | 2105392 | I-43d (220) | ✗ | 20 | 172 | 3 | 0.5301 | 0.673 | 0.000 | (0;000) | ✗ | 21/03/17 |
ZnTe | ICSD | 67779 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.1475 | 1.148 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2N2O | ICSD | 200251 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.4656 | 5.479 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnAu3 | COD | 1510520 | Cmce (64) | ✔ | 16 | 180 | 3 | 0.0 | 0.014 | 0.400 | (0;000) | ✗ | 21/03/17 |
CuCN2 | ICSD | 161460 | Cmcm (63) | ✔ | 8 | 50 | 3 | 0.0 | 0.000 | 0.436 | (0;000) | ✗ | 27/01/17 |
CuCO3 | COD | 9000104 | R-3c (167) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.632 | (0;000) | ✗ | 27/01/17 |
Si2N2O | ICSD | 202830 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2062 | 5.206 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(CdGa)2 | ICSD | 370021 | I4/mmm (139) | ✔ | 5 | 60 | 3 | 0.0 | 0.013 | 0.813 | (0;000) | ✗ | 27/01/17 |
Tl2Au4S3 | COD | 7109280 | Pmmn (59) | ✔ | 18 | 176 | 3 | 0.7914 | 0.791 | 0.000 | (0;000) | ✗ | 21/03/17 |
ZrAu4 | COD | 1510543 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.0 | 0.015 | 0.229 | (0;000) | ✗ | 21/03/17 |
SnTe | ICSD | 52489 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.1897 | 0.223 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs7Au5O2 | COD | 1510553 | Immm (71) | ✔ | 14 | 130 | 3 | 1.2515 | 1.352 | 0.000 | (0;000) | ✗ | 21/03/17 |
Si2N2O | ICSD | 202831 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2688 | 5.269 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3PbAu5 | ICSD | 107450 | Imma (74) | ✔ | 18 | 192 | 3 | 0.0 | 0.021 | 0.308 | (0;000) | ✗ | 21/03/17 |
K2CO3 | ICSD | 662 | C2/c (15) | ✔ | 12 | 80 | 1 | 3.5203 | 3.520 | 0.000 | (0;000) | ✗ | 27/01/17 |
Si2N2O | ICSD | 34025 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1872 | 5.187 | 0.000 | (0;000) | ✗ | 06/10/16 |
Se | ICSD | 656457 | R-3m (166) | ✔ | 1 | 6 | 3 | 0.0 | 0.028 | 0.777 | (0;000) | ✗ | 27/01/17 |
Rb7Au5O2 | COD | 1510569 | Immm (71) | ✔ | 14 | 130 | 3 | 0.6181 | 0.687 | 0.000 | (0;000) | ✗ | 21/03/17 |
Cs4Au6S5 | COD | 1510578 | P31m (157) | ✗ | 15 | 132 | 2 | 2.2096 | 2.241 | 0.000 | (0;000) | ✗ | 21/03/17 |
AuBrF6 | COD | 1510611 | P2_1 (4) | ✗ | 16 | 120 | 1 | 2.0362 | 2.037 | 0.000 | (0;000) | ✗ | 21/03/17 |
YClO | ICSD | 60585 | R-3m (166) | ✔ | 6 | 48 | 2 | 4.0542 | 4.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbCdAuS2 | ICSD | 85582 | Pcca (54) | ✔ | 20 | 176 | 2 | 1.9477 | 2.222 | 0.000 | (0;000) | ✗ | 21/03/17 |
P2O5 | ICSD | 77377 | Fdd2 (43) | ✗ | 14 | 80 | 3 | 5.886 | 5.886 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs3Ge4Au | COD | 1510108 | Pmmn (59) | ✔ | 16 | 108 | 3 | 0.8002 | 0.890 | 0.000 | (0;000) | ✗ | 21/03/17 |
Cs3Pb4Au | ICSD | 107448 | Pmmn (59) | ✔ | 16 | 188 | 1 | 0.0 | 0.030 | 0.340 | (0;000) | ✗ | 21/03/17 |
Cs3Sn4Au | ICSD | 107446 | Pmmn (59) | ✔ | 16 | 188 | 1 | 0.0 | 0.005 | 0.410 | (0;000) | ✗ | 21/03/17 |
CsAu(IO3)4 | ICSD | 250789 | C2 (5) | ✗ | 18 | 120 | 3 | 2.3049 | 2.352 | 0.000 | (0;000) | ✗ | 21/03/17 |
ZnTe | ICSD | 80076 | P3_1 (144) | ✗ | 6 | 54 | 3 | 0.2277 | 1.605 | 0.000 | (0;000) | ✔ | 06/10/16 |
SnTe | ICSD | 652743 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.1727 | 0.276 | 0.000 | (0;000) | ✗ | 02/02/17 |
Si2N2O | ICSD | 415575 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1828 | 5.183 | 0.000 | (0;000) | ✗ | 06/10/16 |
H3OF | ICSD | 24382 | Pnma (62) | ✔ | 20 | 64 | 1 | 6.8666 | 6.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
KAu(IO3)4 | ICSD | 417267 | P1 (1) | ✗ | 18 | 120 | 1 | 2.254 | 2.290 | 0.000 | (0;000) | ✗ | 21/03/17 |
Si2N2O | ICSD | 66539 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1366 | 5.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaAu(IO3)4 | ICSD | 250786 | P1 (1) | ✗ | 18 | 120 | 1 | 2.2426 | 2.263 | 0.000 | (0;000) | ✗ | 21/03/17 |
RbAu(IO3)4 | ICSD | 250788 | C2 (5) | ✗ | 18 | 120 | 3 | 2.3359 | 2.410 | 0.000 | (0;000) | ✗ | 21/03/17 |
Si2N2O | ICSD | 66540 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1431 | 5.143 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl4AuSe3 | ICSD | 612311 | I4/mcm (140) | ✔ | 16 | 162 | 3 | 2.7617 | 0.007 | 1.000 | (0;000) | ✗ | 21/03/17 |
Ba3Ti3(BO6)2 | ICSD | 99460 | P-62m (189) | ✗ | 20 | 144 | 3 | 2.1579 | 2.459 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaZr(BO3)2 | ICSD | 95527 | R3c (161) | ✗ | 20 | 112 | 2 | 4.0582 | 4.058 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba(BS2)2 | COD | 1510637 | Cc (9) | ✗ | 14 | 80 | 1 | 2.6688 | 2.785 | 0.000 | (0;000) | ✗ | 21/03/17 |
ScCd3 | COD | 1525206 | P6_3/mmc (194) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.813 | (0;000) | ✗ | 27/01/17 |
Hf | ICSD | 76412 | Im-3m (229) | ✔ | 1 | 12 | 3 | 0.0 | 0.000 | 0.525 | (0;000) | ✗ | 27/01/17 |
Si2N2O | ICSD | 98638 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1733 | 5.173 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaP3 | ICSD | 23618 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.6198 | 0.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cr5B2P | ICSD | 613539 | I4/mcm (140) | ✔ | 16 | 162 | 3 | 0.0 | 0.001 | 0.788 | (0;000) | ✗ | 21/03/17 |
YSn2 | ICSD | 416771 | Cmcm (63) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.768 | (0;000) | ✗ | 27/01/17 |
Si2N2O | ICSD | 98639 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 4.9363 | 4.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsNb(BO3)2 | COD | 2003948 | Pmn2_1 (31) | ✗ | 20 | 128 | 3 | 3.5447 | 3.717 | 0.000 | (0;000) | ✗ | 21/03/17 |
CsTa(BO3)2 | ICSD | 80423 | Pmn2_1 (31) | ✗ | 20 | 128 | 3 | 3.3373 | 3.616 | 0.000 | (0;000) | ✗ | 21/03/17 |
CdPb2(ClO)2 | ICSD | 168248 | C2/m (12) | ✔ | 7 | 66 | 2 | 2.2796 | 2.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
IrO2 | COD | 5910069 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.597 | (0;000) | ✗ | 27/01/17 |
NaSi2N3 | ICSD | 72466 | Cmc2_1 (36) | ✗ | 12 | 64 | 3 | 4.0847 | 4.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3Nb3(BO6)2 | COD | 1001007 | P31m (157) | ✗ | 20 | 144 | 3 | 2.121 | 2.252 | 0.000 | (0;000) | ✗ | 21/03/17 |
K3Ta3(BO6)2 | ICSD | 201143 | P-62m (189) | ✗ | 20 | 144 | 3 | 2.8089 | 2.897 | 0.000 | (0;000) | ✗ | 21/03/17 |
KTa(BO3)2 | ICSD | 162214 | Pmn2_1 (31) | ✗ | 20 | 128 | 3 | 3.6016 | 3.946 | 0.000 | (0;000) | ✗ | 21/03/17 |
K | ICSD | 165996 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.147 | 0.288 | (0;000) | ✗ | 27/01/17 |
LiN3 | ICSD | 34675 | C2/m (12) | ✔ | 4 | 18 | 1 | 3.7952 | 4.288 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn2PN3 | ICSD | 422150 | Cmc2_1 (36) | ✗ | 12 | 88 | 3 | 2.6671 | 3.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrCdF6 | COD | 1525283 | R-3 (148) | ✔ | 8 | 68 | 3 | 0.0 | 0.029 | 0.188 | (0;000) | ✗ | 27/01/17 |
Li2O2 | COD | 1514083 | P6_3/mmc (194) | ✔ | 8 | 36 | 2 | 2.7158 | 2.716 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2O2 | COD | 1514089 | P6_3/mmc (194) | ✔ | 8 | 36 | 1 | 1.6247 | 1.625 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr | ICSD | 31668 | C2/c (15) | ✔ | 6 | 24 | 1 | 0.0 | 0.022 | 0.320 | (0;000) | ✗ | 02/02/17 |
NaNbO3 | ICSD | 28152 | R3c (161) | ✗ | 10 | 80 | 3 | 3.6866 | 3.714 | 0.000 | (0;000) | ✗ | 06/10/16 |
S | ICSD | 26463 | Pnnm (58) | ✔ | 24 | 144 | 1 | 2.1436 | 2.304 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrI2 | ICSD | 23892 | C2/m (12) | ✔ | 3 | 28 | 2 | 0.0 | 0.052 | 0.341 | (0;000) | ✔ | 06/10/16 |
Cd4BiB3O10 | ICSD | 248027 | Cm (8) | ✗ | 18 | 132 | 3 | 2.1919 | 2.665 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ca5B3O9F | ICSD | 69537 | Cm (8) | ✗ | 18 | 120 | 1 | 4.3024 | 4.302 | 0.000 | (0;000) | ✗ | 21/03/17 |
NaSnP | ICSD | 409010 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.5734 | 1.173 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnNiO3 | ICSD | 31853 | R-3 (148) | ✔ | 10 | 86 | 3 | 0.0 | 0.012 | 0.447 | (0;000) | ✗ | 27/01/17 |
ZrCdCu2 | ICSD | 58961 | Fm-3m (225) | ✔ | 4 | 38 | 3 | 0.0 | 0.032 | 0.213 | (0;000) | ✗ | 27/01/17 |
NaNbO3 | ICSD | 9645 | R3c (161) | ✗ | 10 | 80 | 3 | 3.0821 | 3.082 | 0.000 | (0;000) | ✗ | 06/10/16 |
VCdCuO4 | COD | 2002682 | Cmcm (63) | ✔ | 14 | 120 | 3 | 1.1901 | 1.321 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaN | ICSD | 187023 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.498 | (0;000) | ✗ | 27/01/17 |
Cr3B4 | COD | 1511725 | Immm (71) | ✔ | 7 | 54 | 3 | 0.0 | 0.010 | 0.693 | (0;000) | ✗ | 21/03/17 |
WO2 | ICSD | 647647 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 0.0 | 0.002 | 0.158 | (0;000) | ✗ | 27/01/17 |
NaSrP | ICSD | 416887 | P-62m (189) | ✗ | 9 | 72 | 1 | 1.3102 | 1.310 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca2B5H2ClO10 | COD | 2009683 | P1 (1) | ✗ | 20 | 104 | 3 | 5.2078 | 5.348 | 0.000 | (0;000) | ✗ | 21/03/17 |
SrCaB5H2ClO10 | ICSD | 91540 | P1 (1) | ✗ | 20 | 104 | 3 | 4.8485 | 5.036 | 0.000 | (0;000) | ✗ | 21/03/17 |
K3B6BrO10 | COD | 7205749 | R3m (160) | ✗ | 20 | 112 | 3 | 5.2393 | 5.245 | 0.000 | (0;000) | ✗ | 21/03/17 |
K3B6ClO10 | ICSD | 262005 | R3m (160) | ✗ | 20 | 112 | 3 | 5.5212 | 5.523 | 0.000 | (0;000) | ✗ | 21/03/17 |
ZnO2 | ICSD | 60763 | Pa3 (205) | ✔ | 12 | 96 | 3 | 2.3571 | 2.488 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba2InBiS5 | ICSD | 261678 | Cmc2_1 (36) | ✗ | 18 | 156 | 1 | 1.1882 | 1.538 | 0.000 | (0;000) | ✗ | 21/03/17 |
TiP | ICSD | 24148 | P6_3/mcm (193) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.880 | (0;000) | ✗ | 02/02/17 |
Ba2CaTl2(CuO4)2 | ICSD | 65554 | I4/mmm (139) | ✔ | 15 | 126 | 3 | 0.0 | 0.007 | 0.704 | (0;000) | ✗ | 21/03/17 |
Ba2CaTl2(CuO4)2 | ICSD | 78593 | I4/mmm (139) | ✔ | 15 | 126 | 3 | 0.0 | 0.007 | 0.975 | (0;000) | ✗ | 21/03/17 |