▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AgH4CN4 | COD | 2203531 | P-1 (2) | ✔ | 20 | 78 | 3 | 2.7572 | 3.110 | 0.000 | (0;000) | ✗ | 02/02/17 |
CIF2 | COD | 7200677 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 3.1528 | 3.212 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2CCl2 | COD | 2100015 | Pbcn (60) | ✔ | 20 | 80 | 1 | 5.0549 | 5.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiCl2O | COD | 7028093 | P-1 (2) | ✔ | 16 | 96 | 1 | 5.8349 | 5.921 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgCl2 | COD | 1010620 | Pnma (62) | ✔ | 12 | 104 | 2 | 3.4224 | 3.429 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCO3 | COD | 9010971 | P2_1/c (14) | ✔ | 20 | 124 | 1 | 0.5021 | 0.560 | 0.000 | (0;000) | ✗ | 02/02/17 |
HC | COD | 2100841 | Pa3 (205) | ✔ | 16 | 40 | 1 | 5.684 | 5.704 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCO3 | COD | 9010292 | P2_1/c (14) | ✔ | 20 | 124 | 1 | 0.4508 | 0.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaHCl2 | COD | 4318449 | C2/c (15) | ✔ | 16 | 112 | 1 | 5.062 | 5.206 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlHg5Cl11 | COD | 7221334 | C2/m (12) | ✔ | 17 | 150 | 3 | 2.8327 | 3.194 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cu(ClO)2 | COD | 9014996 | Pmna (53) | ✔ | 10 | 74 | 2 | 0.0 | 0.000 | 0.938 | (0;000) | ✗ | 02/02/17 |
Sr(ClO2)2 | COD | 2207380 | Ccce (68) | ✔ | 14 | 96 | 1 | 2.3827 | 2.464 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ru(N3Cl)2 | COD | 9014997 | Fm-3m (225) | ✔ | 9 | 60 | 1 | 0.0 | 0.001 | 0.452 | (0;000) | ✗ | 02/02/17 |
Mg(ClO3)2 | COD | 9014683 | C2/m (12) | ✔ | 9 | 60 | 1 | 0.0 | 0.007 | 0.584 | (0;000) | ✗ | 02/02/17 |
Ni(N3Cl)2 | COD | 9014070 | Fm-3m (225) | ✔ | 9 | 54 | 1 | 0.0 | 0.001 | 0.367 | (1;000) | ✗ | 02/02/17 |
Sr(ClO)2 | COD | 9008002 | Ccce (68) | ✔ | 20 | 144 | 1 | 0.0 | 0.010 | 0.435 | (0;110) | ✗ | 02/02/17 |
Nb(SCl)2 | COD | 1522781 | C2/m (12) | ✔ | 10 | 78 | 2 | 1.4336 | 1.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb(ClO)2 | COD | 9007817 | Ccce (68) | ✔ | 20 | 160 | 3 | 0.0 | 0.039 | 0.192 | (0;000) | ✗ | 02/02/17 |
CsSn2Cl5 | COD | 1525543 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 2.919 | 3.043 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PdCl4 | COD | 1532214 | Cmcm (63) | ✔ | 14 | 128 | 1 | 1.6548 | 1.655 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbGeCl3 | COD | 7221358 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.6922 | 3.704 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNiCl3 | COD | 2007344 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.002 | 0.203 | (0;000) | ✗ | 02/02/17 |
Te3Cl2 | COD | 1522083 | P2_1/c (14) | ✔ | 20 | 128 | 3 | 1.2807 | 1.345 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCu2Cl3 | COD | 2310349 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.8641 | 1.864 | 0.000 | (0;000) | ✗ | 02/02/17 |
KFeCl3 | COD | 1524477 | Pnma (62) | ✔ | 20 | 152 | 1 | 0.3958 | 0.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsVCl3 | COD | 1527869 | P6_3/mmc (194) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.717 | (0;000) | ✗ | 02/02/17 |
RbCuCl3 | COD | 1527258 | Pbcn (60) | ✔ | 20 | 164 | 1 | 0.0 | 0.000 | 0.386 | (0;011) | ✗ | 02/02/17 |
Rb2CrCl4 | COD | 1533153 | I4/mmm (139) | ✔ | 7 | 60 | 1 | 0.0 | 0.008 | 0.180 | (1;111) | ✗ | 02/02/17 |
Ti(NCl)3 | COD | 1528192 | P-1 (2) | ✔ | 14 | 96 | 1 | 2.4342 | 2.479 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoNCl3 | COD | 1528097 | P-1 (2) | ✔ | 20 | 160 | 2 | 1.7625 | 1.819 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoSCl3 | COD | 4002054 | C2/c (15) | ✔ | 20 | 164 | 1 | 0.0 | 0.001 | 0.450 | (1;110) | ✗ | 02/02/17 |
Li2CrCl4 | COD | 1530131 | C2/c (15) | ✔ | 14 | 96 | 3 | 0.0 | 0.006 | 0.560 | (0;000) | ✗ | 02/02/17 |
Y(ClO2)3 | COD | 9007776 | P2/c (13) | ✔ | 20 | 136 | 1 | 0.0 | 0.001 | 0.398 | (1;110) | ✗ | 02/02/17 |
YCl3 | COD | 1528118 | C2/m (12) | ✔ | 8 | 64 | 2 | 4.6408 | 4.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsPb2Cl5 | COD | 4302867 | I4/mcm (140) | ✔ | 16 | 144 | 2 | 3.12 | 3.294 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoCl4O | COD | 4031499 | P-1 (2) | ✔ | 12 | 96 | 2 | 1.29 | 1.363 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Os(Cl2O)2 | COD | 1010629 | I4/mmm (139) | ✔ | 9 | 74 | 1 | 0.7524 | 0.803 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuN2(Cl2O)2 | COD | 9008016 | P4_2/mnm (136) | ✔ | 18 | 122 | 1 | 0.0 | 0.000 | 0.859 | (0;110) | ✗ | 02/02/17 |
GeCl4 | COD | 2012797 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 4.342 | 4.405 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2MnCl4 | COD | 2106200 | Pbam (55) | ✔ | 14 | 122 | 1 | 0.0 | 0.000 | 0.664 | (0;000) | ✗ | 02/02/17 |
K2PdCl4 | COD | 1010315 | P4/mmm (123) | ✔ | 7 | 64 | 1 | 1.5312 | 1.531 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTlCl4 | COD | 1527421 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 2.6111 | 2.611 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3ZnCl5 | COD | 2213127 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 4.4993 | 4.499 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCl4 | COD | 4343693 | C2/m (12) | ✔ | 10 | 82 | 1 | 0.8567 | 0.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti(NCl)4 | COD | 9015114 | I4/mmm (139) | ✔ | 9 | 60 | 1 | 0.0 | 0.001 | 0.840 | (1;000) | ✗ | 02/02/17 |
AlN | COD | 1523095 | Fm-3m (225) | ✔ | 2 | 8 | 3 | 5.1878 | 6.629 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs3NiCl5 | COD | 2007345 | I4/mcm (140) | ✔ | 18 | 144 | 1 | 0.0 | 0.018 | 0.280 | (0;000) | ✗ | 02/02/17 |
Tl2PdCl4 | COD | 1521908 | P4/mmm (123) | ✔ | 7 | 72 | 1 | 1.0199 | 1.472 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl3CoCl5 | COD | 1523977 | I4/mcm (140) | ✔ | 18 | 182 | 1 | 0.0 | 0.000 | 0.321 | (0;111) | ✗ | 02/02/17 |
Cs2PtI6 | COD | 1530777 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 0.4118 | 0.595 | 0.000 | (0;000) | ✗ | 02/02/17 |