▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LiIO3 | ICSD | 35473 | P6_3 (173) | ✗ | 10 | 56 | 3 | 0.4522 | 0.636 | 0.000 | (0;000) | ✔ | 29/11/16 |
LiIO3 | ICSD | 35475 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.8193 | 3.892 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40360 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.695 | 3.770 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40361 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7323 | 3.808 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40362 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7988 | 3.879 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40364 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7008 | 3.766 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40365 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7008 | 3.766 | 0.000 | (0;000) | ✗ | 29/11/16 |
K2MgCl4 | ICSD | 4035 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 4.9192 | 5.142 | 0.000 | (0;000) | ✗ | 27/01/17 |
KSnAs | ICSD | 40815 | Ccm2_1 (36) | ✗ | 6 | 56 | 0 | 0.4164 | 0.458 | 0.000 | (0;000) | ✔ | 06/10/16 |
KSnAs | ICSD | 610765 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.5034 | 0.530 | 0.000 | (0;000) | ✗ | 06/10/16 |
KSnAs | ICSD | 65413 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.4164 | 0.458 | 0.000 | (0;000) | ✔ | 06/10/16 |
CsClO2 | ICSD | 162803 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.3848 | 2.676 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(AsO3)2 | ICSD | 29534 | P312 (149) | ✗ | 9 | 56 | 2 | 3.1687 | 3.461 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(AsO3)2 | ICSD | 77379 | P-31m (162) | ✔ | 9 | 56 | 2 | 2.9334 | 3.161 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbClF | COD | 1011046 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 3.1252 | 3.139 | 0.000 | (0;000) | ✗ | 27/01/17 |
InP3 | ICSD | 37073 | R-3m (166) | ✔ | 8 | 56 | 3 | 0.0 | 0.002 | 0.443 | (0;000) | ✗ | 27/01/17 |
PbClF | COD | 1011058 | P4/nmm (129) | ✔ | 6 | 56 | 1 | 1.7485 | 1.842 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrGaAu | ICSD | 156264 | P-6m2 (187) | ✗ | 6 | 56 | 3 | 0.0 | 0.287 | 0.291 | (0;000) | ✔ | 06/10/16 |
Ag2O | COD | 1010604 | Pn-3m (224) | ✔ | 6 | 56 | 3 | 0.0 | 0.003 | 0.004 | (0;000) | ✗ | 05/01/17 |
CsSbF6 | COD | 1529843 | R-3 (148) | ✔ | 8 | 56 | 1 | 5.7879 | 5.788 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 168810 | R3m (160) | ✗ | 10 | 56 | 2 | 2.2643 | 2.309 | 0.000 | (0;000) | ✗ | 06/10/16 |
HPbClO | COD | 9009482 | C2/m (12) | ✔ | 8 | 56 | 1 | 2.6542 | 2.661 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2Te | ICSD | 77055 | P6/mmm (191) | ✔ | 6 | 56 | 3 | 0.0 | 0.006 | 0.376 | (0;000) | ✗ | 27/01/17 |
Cu2O | COD | 9007497 | Pn-3m (224) | ✔ | 6 | 56 | 3 | 0.4484 | 0.448 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2MgF4 | ICSD | 33519 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 6.6361 | 6.783 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2S | ICSD | 166578 | P6_3/mmc (194) | ✔ | 6 | 56 | 3 | 0.0 | 0.031 | 0.151 | (0;000) | ✗ | 27/01/17 |
CuAgSe | COD | 9008069 | Pmmn (59) | ✔ | 6 | 56 | 3 | 0.0 | 0.058 | 0.080 | (1;000) | ✗ | 05/01/17 |
CuAgS | COD | 8103391 | Cmcm (63) | ✔ | 6 | 56 | 3 | 0.4708 | 0.549 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na3SbS4 | ICSD | 44707 | I-43m (217) | ✗ | 8 | 56 | 1 | 2.1628 | 2.190 | 0.000 | (0;000) | ✗ | 06/10/16 |
GePt | COD | 9008939 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.080 | 0.298 | (0;000) | ✗ | 27/01/17 |
K2NiF4 | COD | 1527113 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 0.0 | 0.011 | 0.712 | (0;000) | ✗ | 27/01/17 |
CoReO4 | ICSD | 72872 | Cmmm (65) | ✔ | 6 | 56 | 3 | 0.0 | 0.015 | 0.818 | (1;001) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 168807 | P4_2/mcm (132) | ✔ | 10 | 56 | 3 | 0.0 | 0.019 | 0.097 | (1;000) | ✗ | 06/10/16 |
Li2CO3 | COD | 1531432 | P6_3/mcm (193) | ✔ | 12 | 56 | 1 | 3.5493 | 4.009 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CO3 | COD | 2310703 | C2/c (15) | ✔ | 12 | 56 | 1 | 5.282 | 5.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsK2CoO2 | ICSD | 74889 | I4/mmm (139) | ✔ | 6 | 56 | 1 | 0.0 | 0.066 | 0.476 | (0;000) | ✗ | 27/01/17 |
AlAu | COD | 1523318 | P2_1/m (11) | ✔ | 8 | 56 | 3 | 0.0 | 0.126 | 0.308 | (1;000) | ✗ | 05/01/17 |
BrF3 | ICSD | 31689 | Ccm2_1 (36) | ✗ | 8 | 56 | 1 | 2.3987 | 2.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2MgF4 | ICSD | 69681 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 6.5096 | 6.639 | 0.000 | (0;000) | ✗ | 27/01/17 |
KClO2 | COD | 2014618 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.279 | 3.000 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbI2 | ICSD | 24263 | P6_3mc (186) | ✗ | 6 | 56 | 2 | 1.4242 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2AlF5 | COD | 1000479 | P4/mmm (123) | ✔ | 8 | 56 | 1 | 6.503 | 6.546 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb2NiF4 | ICSD | 69682 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 0.0 | 0.006 | 0.710 | (0;000) | ✗ | 27/01/17 |
FeSnRh2 | ICSD | 633234 | I4/mmm (139) | ✔ | 4 | 56 | 3 | 0.0 | 0.003 | 0.267 | (0;111) | ✗ | 27/01/17 |
Ti2FeS4 | COD | 9012121 | C2/m (12) | ✔ | 7 | 56 | 3 | 0.0 | 0.020 | 0.484 | (0;001) | ✗ | 27/01/17 |
KP(HO)2 | COD | 2013920 | C2/c (15) | ✔ | 12 | 56 | 1 | 5.351 | 5.351 | 0.000 | (0;000) | ✗ | 27/01/17 |
F2 | COD | 2100647 | R-3c (167) | ✔ | 8 | 56 | 3 | 0.0 | 0.007 | 0.700 | (0;000) | ✗ | 27/01/17 |
MnAlPt | ICSD | 57984 | P6_3/mmc (194) | ✔ | 6 | 56 | 3 | 0.0 | 0.002 | 0.466 | (0;000) | ✗ | 05/01/17 |
AlTlO2 | ICSD | 29010 | R-3m (166) | ✔ | 8 | 56 | 3 | 1.3755 | 1.384 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrCl2 | COD | 2310476 | Pnnm (58) | ✔ | 6 | 56 | 3 | 0.0 | 0.004 | 0.395 | (0;000) | ✗ | 27/01/17 |