▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SrAgSb | COD | 1509533 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.022 | 0.362 | (1;000) | ✗ | 05/01/17 |
Nb4B3C2 | ICSD | 411623 | Cmcm (63) | ✔ | 18 | 138 | 3 | 0.0 | 0.000 | 0.957 | (0;110) | ✗ | 21/03/17 |
CoSO4 | ICSD | 16986 | Cmcm (63) | ✔ | 12 | 94 | 3 | 0.0 | 0.000 | 0.596 | (0;000) | ✗ | 27/01/17 |
TlBi | ICSD | 53967 | Pm-3m (221) | ✔ | 2 | 28 | 3 | 0.0 | 0.000 | 0.632 | (1;111) | ✗ | 05/01/17 |
AgSbTe2 | COD | 4111783 | P4/mmm (123) | ✔ | 4 | 28 | 3 | 0.0 | 0.038 | 0.221 | (0;110) | ✗ | 05/01/17 |
AgSbTe2 | COD | 4111784 | R-3m (166) | ✔ | 4 | 28 | 3 | 0.0 | 0.671 | 0.213 | (0;000) | ✗ | 05/01/17 |
CaBi2(CO4)2 | COD | 9004678 | Immm (71) | ✔ | 13 | 96 | 1 | 0.0 | 0.009 | 0.446 | (0;111) | ✗ | 21/03/17 |
CoSeO4 | ICSD | 109072 | Cmcm (63) | ✔ | 12 | 94 | 3 | 0.0 | 0.000 | 0.568 | (0;000) | ✗ | 27/01/17 |
V(CrC)2 | COD | 1530865 | Cmcm (63) | ✔ | 10 | 98 | 3 | 0.0 | 0.000 | 0.958 | (0;110) | ✗ | 21/03/17 |
Cr3C2 | ICSD | 653958 | Pnma (62) | ✔ | 20 | 200 | 3 | 0.0 | 0.004 | 0.700 | (1;000) | ✗ | 21/03/17 |
Cr3C2 | COD | 9009906 | Pnma (62) | ✔ | 20 | 200 | 3 | 0.0 | 0.003 | 0.794 | (0;000) | ✗ | 21/03/17 |
ScAgSe2 | ICSD | 155115 | P-3m1 (164) | ✔ | 4 | 34 | 3 | 0.4242 | 1.112 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiAg | ICSD | 605934 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.673 | (0;001) | ✗ | 05/01/17 |
CoS2 | COD | 9007682 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.653 | (0;111) | ✗ | 27/01/17 |
CoPS3 | ICSD | 624616 | C2/m (12) | ✔ | 10 | 80 | 2 | 0.0 | 0.006 | 0.364 | (0;000) | ✗ | 27/01/17 |
Co(PdSe)2 | ICSD | 416513 | Ibam (72) | ✔ | 10 | 130 | 3 | 0.0 | 0.000 | 0.515 | (1;000) | ✗ | 27/01/17 |
YBi | ICSD | 58869 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.024 | 0.255 | (1;000) | ✗ | 06/10/16 |
KC2IN2 | ICSD | 40370 | C2/m (12) | ✔ | 6 | 34 | 1 | 4.3089 | 4.378 | 0.000 | (0;000) | ✗ | 21/03/17 |
Mn5C2 | ICSD | 69535 | C2/c (15) | ✔ | 14 | 166 | 3 | 0.0 | 0.000 | 0.859 | (0;011) | ✗ | 21/03/17 |
Al8C3N4 | ICSD | 41261 | R-3m (166) | ✔ | 15 | 56 | 3 | 0.0 | 0.002 | 0.607 | (0;111) | ✗ | 21/03/17 |
YAg | COD | 1509564 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.654 | (0;111) | ✗ | 05/01/17 |
ZrAg | COD | 1509569 | P4/nmm (129) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.856 | (0;000) | ✗ | 05/01/17 |
CoP2W | ICSD | 624660 | P6_3/mmc (194) | ✔ | 8 | 82 | 3 | 0.0 | 0.001 | 1.000 | (0;000) | ✗ | 27/01/17 |
Al2B2Ru3 | ICSD | 43843 | Cmmm (65) | ✔ | 7 | 60 | 3 | 0.0 | 0.018 | 0.778 | (1;111) | ✗ | 05/01/17 |
Ba(AlGe)2 | COD | 1532740 | I4/mmm (139) | ✔ | 5 | 24 | 2 | 0.0 | 0.028 | 0.264 | (0;000) | ✗ | 05/01/17 |
CoPPd | ICSD | 624599 | P4/nmm (129) | ✔ | 6 | 80 | 3 | 0.0 | 0.011 | 0.497 | (1;000) | ✗ | 27/01/17 |
ZrBi | ICSD | 409756 | Cmcm (63) | ✔ | 12 | 54 | 3 | 0.0 | 0.000 | 0.702 | (1;110) | ✗ | 06/10/16 |
BaAl2 | ICSD | 246193 | Fd-3m (227) | ✔ | 6 | 32 | 3 | 0.0 | 0.000 | 0.593 | (0;000) | ✗ | 05/01/17 |
BaAl2(SiO4)2 | ICSD | 188056 | P-3 (147) | ✔ | 13 | 72 | 3 | 0.3812 | 0.447 | 0.000 | (0;000) | ✗ | 05/01/17 |
CoP | COD | 9008928 | Pnma (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.021 | 0.369 | (0;000) | ✗ | 27/01/17 |
BaAl2(SiO4)2 | ICSD | 191252 | P-3 (147) | ✔ | 13 | 72 | 2 | 4.838 | 4.951 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(AlSi)2 | ICSD | 153385 | I4/mmm (139) | ✔ | 5 | 24 | 2 | 0.0 | 0.000 | 0.319 | (1;000) | ✗ | 05/01/17 |
ZrCoP | ICSD | 624675 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.008 | 0.043 | (1;000) | ✗ | 27/01/17 |
Ta4CoP | ICSD | 624637 | P4/mcc (124) | ✔ | 12 | 148 | 3 | 0.0 | 0.004 | 0.163 | (0;110) | ✗ | 27/01/17 |
CaBi2 | ICSD | 659277 | Cmcm (63) | ✔ | 6 | 80 | 1 | 0.0 | 0.032 | 0.360 | (0;110) | ✗ | 05/01/17 |
Ca3(AlGe)2 | ICSD | 52616 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.005 | 0.676 | (0;111) | ✗ | 05/01/17 |
Ca3(AlSi)2 | COD | 7221267 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.003 | 0.678 | (1;111) | ✗ | 05/01/17 |
HgO2 | ICSD | 48214 | C2/m (12) | ✔ | 3 | 24 | 3 | 0.8828 | 1.430 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(AlGa)2 | ICSD | 300209 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.016 | 0.303 | (0;000) | ✗ | 05/01/17 |
Ca(AlGe)2 | COD | 8101147 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.134 | 0.202 | (0;000) | ✗ | 05/01/17 |
Zr2CoP | ICSD | 84825 | P2_1/m (11) | ✔ | 8 | 60 | 3 | 0.0 | 0.003 | 0.620 | (1;000) | ✗ | 27/01/17 |
HfBi2 | ICSD | 616683 | Pmnn (58) | ✔ | 24 | 176 | 3 | 0.0 | 0.000 | 0.396 | (1;000) | ✗ | 06/10/16 |
CaAl2O4 | COD | 1528679 | P2_1/m (11) | ✔ | 14 | 80 | 2 | 5.2476 | 5.251 | 0.000 | (0;000) | ✗ | 05/01/17 |
Al3Ru | ICSD | 609233 | P6_3/mmc (194) | ✔ | 16 | 100 | 3 | 0.0 | 0.020 | 0.582 | (1;000) | ✗ | 05/01/17 |
TaCoP | ICSD | 624636 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.406 | (1;011) | ✗ | 27/01/17 |
CaAl2 | COD | 1010450 | Fd-3m (227) | ✔ | 6 | 32 | 3 | 0.0 | 0.001 | 0.614 | (0;000) | ✗ | 05/01/17 |
Ca(AlSi)2 | COD | 1529999 | P-3m1 (164) | ✔ | 5 | 24 | 2 | 0.0 | 0.524 | 0.208 | (0;000) | ✗ | 05/01/17 |
MgCrO4 | COD | 1008083 | Cmcm (63) | ✔ | 12 | 96 | 3 | 2.3153 | 2.398 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2CdSb2 | COD | 4109271 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.1448 | 0.159 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ca2CrSbO6 | ICSD | 290790 | P2_1/c (14) | ✔ | 20 | 150 | 3 | 7.4056 | 0.000 | 1.000 | (0;000) | ✗ | 21/03/17 |
Ti(CrTe2)2 | ICSD | 626896 | C2/m (12) | ✔ | 7 | 64 | 3 | 0.0 | 0.014 | 0.310 | (1;000) | ✗ | 27/01/17 |
Pt3PbC | ICSD | 77234 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.364 | (1;111) | ✗ | 27/01/17 |
Ca2PI | ICSD | 65217 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.6369 | 1.930 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ca2MnSbO6 | ICSD | 246090 | P2_1/m (11) | ✔ | 20 | 152 | 3 | 0.0 | 0.003 | 1.000 | (0;000) | ✗ | 21/03/17 |
Ca2Ni7 | ICSD | 619443 | R-3m (166) | ✔ | 18 | 180 | 3 | 0.0 | 0.003 | 0.630 | (1;111) | ✗ | 21/03/17 |
Ca2RuO4 | ICSD | 153804 | Cmce (64) | ✔ | 14 | 120 | 3 | 0.0 | 0.016 | 0.426 | (0;000) | ✗ | 21/03/17 |
ZrCoSi | ICSD | 625144 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.626 | (1;011) | ✗ | 27/01/17 |
Ca3Cu2(ClO2)2 | ICSD | 80546 | I4/mmm (139) | ✔ | 11 | 90 | 2 | 0.0 | 0.001 | 0.970 | (0;000) | ✗ | 21/03/17 |
Ca3Fe2Cl2O5 | ICSD | 69873 | I4/mmm (139) | ✔ | 12 | 90 | 1 | 0.0 | 0.002 | 0.778 | (0;000) | ✗ | 21/03/17 |
Ca3Ga8 | ICSD | 108796 | Immm (71) | ✔ | 11 | 134 | 3 | 0.0 | 0.009 | 0.784 | (1;000) | ✗ | 21/03/17 |
Ca3Hg | ICSD | 619363 | Pnma (62) | ✔ | 16 | 168 | 2 | 0.0 | 0.019 | 0.464 | (0;000) | ✗ | 21/03/17 |
Ca3Mn2O7 | COD | 1533328 | I4/mmm (139) | ✔ | 12 | 102 | 3 | 0.0 | 0.007 | 0.968 | (0;000) | ✗ | 21/03/17 |
YCoSi2 | ICSD | 625129 | Cmcm (63) | ✔ | 8 | 72 | 3 | 0.0 | 0.008 | 0.738 | (0;110) | ✗ | 27/01/17 |
Ca3Pd | ICSD | 619504 | Pnma (62) | ✔ | 16 | 192 | 1 | 0.0 | 0.007 | 0.320 | (1;000) | ✗ | 21/03/17 |
Ca3Tl5 | ICSD | 380324 | Cmcm (63) | ✔ | 16 | 190 | 3 | 4.1527 | 0.000 | 1.000 | (0;000) | ✗ | 21/03/17 |
Ca4In2N | ICSD | 62535 | I4_1/amd (141) | ✔ | 14 | 142 | 1 | 0.0 | 0.000 | 0.958 | (1;111) | ✗ | 21/03/17 |
Ca5Hg3 | COD | 1527308 | I4/mcm (140) | ✔ | 16 | 172 | 2 | 0.0 | 0.019 | 0.388 | (0;111) | ✗ | 21/03/17 |
Ca5MnPb3 | ICSD | 240157 | P6_3/mcm (193) | ✔ | 18 | 214 | 1 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 21/03/17 |
Ca6Cu2Sn7 | COD | 4310163 | C2/m (12) | ✔ | 15 | 180 | 3 | 0.0 | 0.009 | 0.739 | (1;110) | ✗ | 21/03/17 |
CaCd2Pd | ICSD | 425509 | Pnma (62) | ✔ | 16 | 208 | 3 | 0.0 | 0.005 | 0.653 | (0;000) | ✗ | 21/03/17 |
ScCoSi | ICSD | 420415 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.010 | 0.409 | (0;000) | ✗ | 27/01/17 |
Bi2Ir | ICSD | 424397 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.0 | 0.208 | 0.075 | (0;000) | ✗ | 06/10/16 |
CaHI | COD | 9009167 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.1277 | 3.128 | 0.000 | (0;000) | ✗ | 21/03/17 |
CaI2 | COD | 9009097 | P-3m1 (164) | ✔ | 3 | 24 | 1 | 3.2103 | 3.908 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ca(AlZn)2 | ICSD | 57550 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.003 | 0.901 | (1;000) | ✗ | 05/01/17 |
Al2CoO4 | ICSD | 290133 | Fd-3m (227) | ✔ | 14 | 94 | 3 | 0.0 | 0.000 | 0.270 | (0;000) | ✗ | 05/01/17 |
Li2CaTa2O7 | ICSD | 245841 | I4/mmm (139) | ✔ | 12 | 84 | 2 | 2.3496 | 2.802 | 0.000 | (0;000) | ✗ | 21/03/17 |
ScAlCO | ICSD | 419683 | R-3m (166) | ✔ | 8 | 48 | 3 | 0.3449 | 1.217 | 0.000 | (0;000) | ✗ | 21/03/17 |
CaMg2Ni9 | ICSD | 54520 | R-3m (166) | ✔ | 12 | 120 | 3 | 0.0 | 0.001 | 0.669 | (1;000) | ✗ | 22/03/17 |
CaMnO3 | ICSD | 92083 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.001 | 0.550 | (0;110) | ✗ | 22/03/17 |
CaNi3 | ICSD | 619444 | R-3m (166) | ✔ | 12 | 120 | 3 | 0.0 | 0.001 | 0.607 | (1;000) | ✗ | 22/03/17 |
CaRuO3 | ICSD | 165689 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.015 | 0.253 | (0;000) | ✗ | 22/03/17 |
Al2O3 | ICSD | 169722 | C2/c (15) | ✔ | 10 | 48 | 3 | 9.3608 | 9.361 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaTi2O4 | COD | 1008077 | Cmcm (63) | ✔ | 14 | 116 | 3 | 0.0 | 0.009 | 0.095 | (0;000) | ✗ | 22/03/17 |
CaTiSiO5 | COD | 9001794 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.2315 | 3.237 | 0.000 | (0;000) | ✗ | 22/03/17 |
YAl2Co | ICSD | 57645 | Cmcm (63) | ✔ | 8 | 68 | 3 | 0.0 | 0.006 | 0.719 | (0;000) | ✗ | 05/01/17 |
Al2CuIr | ICSD | 167666 | Cmme (67) | ✔ | 8 | 68 | 3 | 0.0 | 0.032 | 0.244 | (1;001) | ✗ | 05/01/17 |
Nb3B3C | ICSD | 411622 | Cmcm (63) | ✔ | 14 | 104 | 3 | 0.0 | 0.012 | 0.523 | (1;110) | ✗ | 22/03/17 |
CoSe | COD | 9008886 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.810 | (0;000) | ✗ | 27/01/17 |
KBi2 | ICSD | 55068 | Fd-3m (227) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.757 | (0;000) | ✗ | 02/02/17 |
Co3C | ICSD | 43521 | Pnma (62) | ✔ | 16 | 220 | 3 | 0.0 | 0.000 | 0.581 | (0;110) | ✗ | 22/03/17 |
Cr3C | ICSD | 617486 | Pnma (62) | ✔ | 16 | 184 | 3 | 0.0 | 0.011 | 0.371 | (1;000) | ✗ | 22/03/17 |
Cr5Si3C | ICSD | 617535 | P6_3/mcm (193) | ✔ | 18 | 172 | 3 | 0.0 | 0.005 | 0.862 | (0;000) | ✗ | 22/03/17 |
Al2CuO4 | COD | 1010128 | Fd-3m (227) | ✔ | 14 | 82 | 3 | 0.0 | 0.000 | 0.705 | (0;000) | ✗ | 05/01/17 |
Al2Cu | COD | 9012196 | I4/mcm (140) | ✔ | 6 | 34 | 3 | 0.0 | 0.000 | 0.914 | (1;000) | ✗ | 05/01/17 |
V2Cd2O7 | ICSD | 62081 | C2/m (12) | ✔ | 11 | 92 | 3 | 2.6098 | 2.817 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs2Cd3Te4 | COD | 1521662 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.5731 | 1.573 | 0.000 | (0;000) | ✗ | 22/03/17 |
Tl2(CdSb)3 | ICSD | 76500 | C2/m (12) | ✔ | 16 | 154 | 3 | 0.0 | 0.146 | 0.038 | (0;000) | ✗ | 22/03/17 |
KCd4P3 | COD | 4326069 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.000 | 0.019 | (1;000) | ✗ | 22/03/17 |
Cs4CdNi3F12 | COD | 1008268 | R-3m (166) | ✔ | 20 | 162 | 3 | 0.0 | 0.009 | 0.207 | (1;111) | ✗ | 22/03/17 |