▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TlCdI3 | ICSD | 8009 | Pnma (62) | ✔ | 20 | 184 | 2 | 1.8407 | 1.934 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2FeI4 | ICSD | 8010 | P2_1 (4) | ✗ | 14 | 108 | 1 | 0.0 | 0.004 | 0.045 | (0;000) | ✔ | 22/03/17 |
Y3Pt | ICSD | 8016 | Pnma (62) | ✔ | 16 | 172 | 3 | 0.0 | 0.000 | 0.309 | (0;110) | ✗ | 02/02/17 |
Ba(TeO3)2 | ICSD | 8017 | Cmcm (63) | ✔ | 18 | 116 | 2 | 2.1918 | 2.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaAlH4 | ICSD | 8022 | I4_1/a (88) | ✔ | 12 | 32 | 1 | 0.5856 | 1.005 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ga2TeS2 | ICSD | 8028 | I4_1md (109) | ✗ | 10 | 88 | 3 | 1.9488 | 1.980 | 0.000 | (0;000) | ✗ | 22/03/17 |
PBr3 | ICSD | 8052 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.1017 | 3.223 | 0.000 | (0;000) | ✗ | 02/02/17 |
K4Ru2Cl10O | ICSD | 8054 | I4/mmm (139) | ✔ | 17 | 144 | 1 | 0.4691 | 0.477 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2RuCl6 | ICSD | 8055 | Fm-3m (225) | ✔ | 9 | 76 | 1 | 0.0 | 0.124 | 0.653 | (0;000) | ✗ | 02/02/17 |
P3Au2 | ICSD | 8058 | C2/m (12) | ✔ | 10 | 74 | 3 | 0.0 | 0.089 | 0.119 | (1;100) | ✔ | 04/10/16 |
CaTeO4 | ICSD | 8097 | Pbcn (60) | ✔ | 24 | 160 | 1 | 2.2643 | 2.264 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrTeO4 | ICSD | 8098 | Pbcn (60) | ✔ | 24 | 160 | 1 | 2.2406 | 2.261 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li(YSi)2 | ICSD | 8160 | P4/mbm (127) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.896 | (1;111) | ✗ | 02/02/17 |
Tl2WO4 | ICSD | 8212 | P-3m1 (164) | ✔ | 14 | 156 | 3 | 2.8141 | 2.944 | 0.000 | (0;000) | ✗ | 11/04/17 |
Cd2As3I | ICSD | 8216 | Cc (9) | ✗ | 12 | 92 | 3 | 0.8427 | 1.115 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgCuP | ICSD | 8221 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.480 | 0.019 | (0;000) | ✗ | 27/01/17 |
Cr2AgBiO8 | ICSD | 8224 | I-4 (82) | ✗ | 12 | 102 | 3 | 1.1891 | 1.204 | 0.000 | (0;000) | ✗ | 15/02/17 |
SbCl3 | ICSD | 8258 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.5764 | 3.619 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgHOF | ICSD | 8267 | P2_12_12_1 (19) | ✗ | 16 | 104 | 3 | 1.1761 | 1.481 | 0.000 | (0;000) | ✗ | 22/03/17 |
CrWO4 | ICSD | 8269 | Cmmm (65) | ✔ | 6 | 52 | 3 | 0.0 | 0.036 | 0.669 | (0;110) | ✗ | 27/01/17 |
RbSO4F | ICSD | 8275 | P-1 (2) | ✔ | 14 | 92 | 1 | 3.4419 | 3.442 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2NaCrF6 | ICSD | 9002 | R-3m (166) | ✔ | 20 | 166 | 1 | 0.0 | 0.001 | 0.559 | (0;000) | ✗ | 22/03/17 |
Cs2LiGaF6 | ICSD | 9004 | P-3m1 (164) | ✔ | 10 | 76 | 1 | 6.3658 | 6.378 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnH8(NCl3)2 | ICSD | 9021 | Fm-3m (225) | ✔ | 17 | 74 | 1 | 2.697 | 2.697 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2LiIr(CN)6 | ICSD | 9032 | Fm-3m (225) | ✔ | 16 | 92 | 2 | 5.3821 | 5.611 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlSeCl7 | ICSD | 9064 | P1 (1) | ✗ | 18 | 116 | 1 | 2.7884 | 2.790 | 0.000 | (0;000) | ✗ | 16/03/17 |
CdI2 | ICSD | 9190 | P-3m1 (164) | ✔ | 12 | 104 | 1 | 1.9523 | 2.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdI2 | ICSD | 9194 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.8969 | 2.099 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaNO2 | ICSD | 9265 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5403 | 2.720 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2NaBiF6 | ICSD | 9382 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 3.9382 | 4.363 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2KBiF6 | ICSD | 9383 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 4.0251 | 4.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2RbBiF6 | ICSD | 9384 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 4.0212 | 4.051 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2TlBiF6 | ICSD | 9385 | Fm-3m (225) | ✔ | 10 | 88 | 3 | 1.7247 | 1.725 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2NaBiF6 | ICSD | 9386 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 4.1294 | 4.307 | 0.000 | (0;000) | ✗ | 05/01/17 |
KRb2BiF6 | ICSD | 9387 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 4.1293 | 4.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoBr3 | ICSD | 9422 | Cm2m (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.011 | 0.407 | (0;110) | ✔ | 04/10/16 |
BeF2 | ICSD | 9481 | P6_222 (180) | ✗ | 9 | 54 | 1 | 8.125 | 8.200 | 0.000 | (0;000) | ✗ | 06/10/16 |
KClO3 | ICSD | 9483 | R3m (160) | ✗ | 5 | 34 | 2 | 0.924 | 0.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnAs | ICSD | 9496 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.006 | 0.343 | (1;000) | ✗ | 05/01/17 |
LiIO3 | ICSD | 9508 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.8139 | 3.877 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNbO3 | ICSD | 9532 | P4mm (99) | ✗ | 5 | 40 | 3 | 1.5819 | 2.398 | 0.000 | (0;000) | ✗ | 29/11/16 |
KNbO3 | ICSD | 9533 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0831 | 2.916 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNbO3 | ICSD | 9534 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4592 | 3.318 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNbO3 | ICSD | 9535 | P4mm (99) | ✗ | 5 | 40 | 3 | 1.5687 | 2.384 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiTaO3 | ICSD | 9537 | R3c (161) | ✗ | 10 | 68 | 3 | 3.8149 | 3.837 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiTaO3 | ICSD | 9540 | R3c (161) | ✗ | 10 | 68 | 3 | 3.199 | 3.330 | 0.000 | (0;000) | ✗ | 06/10/16 |
BH2CO | ICSD | 9561 | C2/c (15) | ✔ | 20 | 60 | 1 | 1.1303 | 1.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaNbO3 | ICSD | 9645 | R3c (161) | ✗ | 10 | 80 | 3 | 3.0821 | 3.082 | 0.000 | (0;000) | ✗ | 06/10/16 |
PNF2 | ICSD | 9684 | Cmc2_1 (36) | ✗ | 8 | 48 | 1 | 6.3002 | 6.301 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2NaMnF6 | ICSD | 9708 | I4/mmm (139) | ✔ | 10 | 84 | 1 | 0.0 | 0.053 | 0.219 | (0;000) | ✗ | 27/01/17 |
CsMoO2F3 | ICSD | 9710 | Imma (74) | ✔ | 14 | 112 | 1 | 3.4674 | 3.490 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdSO4 | ICSD | 9723 | P3m1 (156) | ✗ | 12 | 84 | 3 | 0.0 | 0.005 | 0.221 | ? | ✗ | 06/10/16 |
RbBi | ICSD | 9787 | Pmmn (59) | ✔ | 4 | 48 | 1 | 0.0 | 0.002 | 0.246 | (0;000) | ✗ | 02/02/17 |
KCuF3 | ICSD | 9856 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.009 | 0.248 | (0;000) | ✗ | 27/01/17 |
CsBeF3 | ICSD | 9870 | Pnma (62) | ✔ | 20 | 136 | 1 | 6.8536 | 6.961 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlF | ICSD | 9873 | Pma2 (28) | ✗ | 8 | 80 | 2 | 0.0 | 0.011 | 0.067 | (1;000) | ✔ | 15/02/17 |
K2Be2PbF8 | ICSD | 9902 | R-3m (166) | ✔ | 13 | 96 | 1 | 4.8662 | 4.960 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sr2CuF6 | ICSD | 9926 | Cmce (64) | ✔ | 18 | 146 | 1 | 0.0 | 0.000 | 0.779 | (0;110) | ✗ | 02/02/17 |
SrCuF4 | ICSD | 9927 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.584 | (0;000) | ✗ | 27/01/17 |
CaCuF4 | ICSD | 9928 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.620 | (0;000) | ✗ | 27/01/17 |
SrCrF4 | ICSD | 9929 | I4/mcm (140) | ✔ | 12 | 104 | 1 | 0.0 | 0.001 | 0.196 | (0;000) | ✗ | 22/03/17 |
BaCuF4 | ICSD | 9930 | Cmc2_1 (36) | ✗ | 12 | 98 | 2 | 0.0 | 0.000 | 0.474 | (1;000) | ✔ | 28/11/16 |
YSi3Ni | ICSD | 9933 | C2mm (38) | ✗ | 10 | 66 | 3 | 0.0 | 0.009 | 0.795 | ? | ✗ | 06/10/16 |
RbF3 | ICSD | 9935 | P2_12_12_1 (19) | ✗ | 16 | 120 | 1 | 0.0 | 0.154 | 0.644 | ? | ✗ | 22/03/17 |
Sc2Co3Si | ICSD | 9966 | P6_3/mmc (194) | ✔ | 12 | 154 | 3 | 0.0 | 0.000 | 0.564 | (0;000) | ✗ | 27/01/17 |
Nb4CoP | ICSD | 9967 | P4/mcc (124) | ✔ | 12 | 148 | 3 | 0.0 | 0.002 | 0.357 | (0;110) | ✗ | 27/01/17 |
Ge2W | ICSD | 9978 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.047 | 0.375 | (0;000) | ✗ | 27/01/17 |
CaAgP | ICSD | 10016 | P-62m (189) | ✗ | 9 | 78 | 3 | 0.0 | 0.016 | 0.038 | (0;000) | ✔ | 05/12/16 |
CaAgAs | ICSD | 10017 | P-62m (189) | ✗ | 9 | 78 | 3 | 0.0 | 0.091 | 0.008 | (1;000) | ✔ | 06/10/16 |
InSb | ICSD | 10021 | Pm2m (25) | ✗ | 2 | 18 | 3 | 0.0 | 0.061 | 0.615 | (0;001) | ✔ | 06/10/16 |
AlSiP3 | ICSD | 10032 | Pnma (62) | ✔ | 20 | 88 | 3 | 0.276 | 1.258 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaAg2GeS4 | ICSD | 10040 | I-42m (121) | ✗ | 8 | 60 | 3 | 0.5735 | 1.186 | 0.000 | (0;000) | ✗ | 16/03/17 |
K2CdPb | ICSD | 10041 | C2cm (40) | ✗ | 8 | 88 | 1 | 0.1156 | 0.312 | 0.000 | (0;000) | ✔ | 05/12/16 |
ReNCl4 | ICSD | 10126 | P1 (1) | ✗ | 6 | 48 | 1 | 1.098 | 1.204 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbIn(MoO4)2 | ICSD | 10186 | P-3m1 (164) | ✔ | 12 | 98 | 3 | 2.7374 | 2.739 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbClO3 | ICSD | 10283 | R3m (160) | ✗ | 5 | 34 | 1 | 5.3969 | 5.397 | 0.000 | (0;000) | ✗ | 06/10/16 |
HgC2(SN)2 | ICSD | 10304 | C2/m (12) | ✔ | 7 | 42 | 2 | 2.286 | 2.380 | 0.000 | (0;000) | ✗ | 27/01/17 |
TcH4NO4 | ICSD | 10429 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 0.0 | 0.735 | 1.000 | (1;111) | ✗ | 29/03/17 |
NbI5 | ICSD | 10457 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.0 | 0.048 | 0.113 | (0;111) | ✗ | 06/10/16 |
Ca(CoP)2 | ICSD | 10462 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.019 | 0.401 | (0;111) | ✗ | 27/01/17 |
VINCl3 | ICSD | 10470 | P-1 (2) | ✔ | 12 | 92 | 3 | 0.0 | 0.063 | 0.144 | (0;000) | ✗ | 02/02/17 |
BPd2 | ICSD | 10487 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.880 | (0;101) | ✗ | 06/10/16 |
BiTeI | ICSD | 10500 | P3m1 (156) | ✗ | 3 | 18 | 2 | 0.0 | 0.006 | 0.255 | (0;000) | ✔ | 06/10/16 |
NaLi5Sn4 | ICSD | 12142 | R3m (160) | ✗ | 10 | 80 | 2 | 0.0 | 0.016 | 0.377 | ? | ✗ | 06/10/16 |
NaCdSb | ICSD | 12159 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.017 | 0.020 | (1;000) | ✗ | 02/02/17 |
NaH2N | ICSD | 14007 | Fddd (70) | ✔ | 16 | 64 | 1 | 0.8969 | 0.913 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlH4NCl4 | ICSD | 14020 | I4_1/a (88) | ✔ | 20 | 100 | 1 | 2.7439 | 2.744 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Se3 | ICSD | 14093 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7189 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiF4 | ICSD | 14122 | I-43m (217) | ✗ | 5 | 32 | 1 | 8.056 | 8.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2NiO2 | ICSD | 14159 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.9652 | 1.341 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnF2 | ICSD | 14195 | P4_12_12 (92) | ✗ | 12 | 112 | 3 | 3.6722 | 3.814 | 0.000 | (0;000) | ✗ | 22/03/17 |
IrBr3 | ICSD | 14212 | C2/m (12) | ✔ | 8 | 60 | 2 | 1.4173 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaBr2 | ICSD | 14220 | Pmnn (58) | ✔ | 6 | 48 | 1 | 4.4866 | 4.487 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cr4AgBiO14 | ICSD | 14234 | I4 (79) | ✗ | 20 | 166 | 3 | 1.9671 | 1.972 | 0.000 | (0;000) | ✗ | 16/03/17 |
BNCl2 | ICSD | 14276 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3764 | 2.454 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 14344 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.6031 | 3.690 | 0.000 | (0;000) | ✗ | 06/10/16 |
Te2Mo | ICSD | 14349 | P2_1/m (11) | ✔ | 12 | 104 | 2 | 0.0 | 0.034 | 0.170 | (0;000) | ✗ | 06/10/16 |
KNbO3 | ICSD | 14363 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0944 | 2.921 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2Se3 | ICSD | 14373 | Cc (9) | ✗ | 10 | 48 | 3 | 1.5341 | 1.554 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiIO3 | ICSD | 14377 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.4203 | 3.524 | 0.000 | (0;000) | ✗ | 06/10/16 |