≤nAtoms≤
≤nElements≤
Space Group:
≤ Gap ≤
≤ Dir. Gap ≤
≤ Met. ≤
Formula
Composition
(ν0,ν1ν2ν3)
Source ID

13628 materials founds

▹ Formula ▴ Source ▹ ID ▹ space group ▹ centered ▹ nat ▹ ne ▹ dim ▹ gap ▹ dir. gap ▹ met. ▹ ν wcc ▹ updated
AlBr3 ICSD 83432 P2_1/c (14) ✔ 16 96 1 4.1378 4.138 0.000 (0;000) ✗ 30/01/17
Al6C3N2 ICSD 14399 R3m (160) ✗ 11 40 3 0.0 0.001 0.475 (1;000) ✔ 06/10/16
RbAu(SO4)2 ICSD 412095 P-1 (2) ✔ 12 80 1 2.0264 2.159 0.000 (0;000) ✗ 05/01/17
RbAu(SeO4)2 ICSD 413989 C2/m (12) ✔ 12 80 2 1.5782 1.584 0.000 (0;000) ✗ 05/01/17
TiCu2 ICSD 629379 Ccmm (63) ✔ 6 68 3 0.0 0.012 0.073 (1;000) ✗ 06/10/16
LiCaAlN2 ICSD 424911 P2_1/c (14) ✔ 20 104 1 2.8043 2.811 0.000 (0;000) ✗ 30/01/17
CaTaAlO5 ICSD 50718 C2/c (15) ✔ 16 112 3 3.8797 3.978 0.000 (0;000) ✗ 30/01/17
CaAlPd ICSD 370036 Pbcm (57) ✔ 12 124 2 0.0 0.001 0.475 (1;010) ✗ 30/01/17
Al6C3N2 ICSD 654993 R3m (160) ✗ 11 40 3 0.0 0.000 0.475 (0;000) ✔ 06/10/16
AlCdCl4 ICSD 59173 P-1 (2) ✔ 12 86 2 2.972 3.200 0.000 (0;000) ✗ 30/01/17
Zr2Al4C5 ICSD 173676 R3m (160) ✗ 11 40 3 0.0 0.014 0.496 (0;000) ✔ 06/10/16
AlPNCl5 ICSD 391165 P-1 (2) ✔ 16 96 1 4.4513 4.519 0.000 (0;000) ✗ 30/01/17
NbAlCl8 ICSD 62029 Cmcm (63) ✔ 20 144 1 2.1882 2.244 0.000 (0;000) ✗ 30/01/17
NbAs ICSD 16585 I4_1md (109) ✗ 4 36 3 0.0 0.019 0.026 (0;101) ✔ 06/10/16
AlTl2F5 ICSD 109365 Cmcm (63) ✔ 16 128 1 3.9681 4.029 0.000 (0;000) ✗ 30/01/17
CO ICSD 26962 P2_13 (198) ✗ 8 40 1 6.4576 6.458 0.000 (0;000) ✗ 06/10/16
ScN ICSD 236779 F-43m (216) ✗ 2 16 3 2.424 2.424 0.000 (0;000) ✗ 06/10/16
SrLiAlF6 ICSD 68905 P-31c (163) ✔ 18 116 1 7.6302 7.645 0.000 (0;000) ✗ 30/01/17
ZrCu2 ICSD 191405 Cmcm (63) ✔ 6 68 3 0.0 0.010 0.168 (1;000) ✗ 06/10/16
Sr3AlO4F ICSD 50736 I4/mcm (140) ✔ 18 128 1 4.2152 4.582 0.000 (0;000) ✗ 30/01/17
K2LiAlH6 ICSD 245318 R-3m (166) ✔ 20 60 1 2.586 2.909 0.000 (0;000) ✗ 30/01/17
AlI3 ICSD 391247 P2_1/c (14) ✔ 16 96 1 2.9254 2.928 0.000 (0;000) ✗ 30/01/17
AlSbI6 ICSD 38253 C2/m (12) ✔ 16 100 2 1.8332 1.897 0.000 (0;000) ✗ 30/01/17
K2LiAlP2 ICSD 77275 Ibam (72) ✔ 12 68 1 1.9439 2.255 0.000 (0;000) ✗ 30/01/17
K2NaAlP2 ICSD 73279 Ibam (72) ✔ 12 80 1 1.6306 1.898 0.000 (0;000) ✗ 30/01/17
K3AlO3 ICSD 166540 C2/m (12) ✔ 14 96 1 2.8531 2.861 0.000 (0;000) ✗ 30/01/17
KAlTe2 ICSD 44703 I4/mcm (140) ✔ 8 48 1 1.5093 1.811 0.000 (0;000) ✗ 30/01/17
MgAlSi ICSD 153548 Pnma (62) ✔ 12 68 3 0.0 0.000 0.549 (0;011) ✗ 30/01/17
Na3AlP2 ICSD 73278 Ibam (72) ✔ 12 80 1 1.3748 1.578 0.000 (0;000) ✗ 30/01/17
NaAlTe2 ICSD 44701 I4/mcm (140) ✔ 8 48 1 1.3954 1.477 0.000 (0;000) ✗ 30/01/17
Rb3AlO3 ICSD 74969 C2/m (12) ✔ 14 96 3 2.8352 2.835 0.000 (0;000) ✗ 30/01/17
Zr3(Al2C3)2 ICSD 173677 R3m (160) ✗ 13 48 3 0.0 0.010 0.526 ? ✗ 06/10/16
AlSiP3 ICSD 10032 Pnma (62) ✔ 20 88 3 0.276 1.258 0.000 (0;000) ✗ 30/01/17
Zr5AlPb3 ICSD 604194 P6_3/mcm (193) ✔ 18 130 3 0.0 0.000 0.794 (1;000) ✗ 30/01/17
YAlPd ICSD 609063 Pnma (62) ✔ 12 128 3 0.0 0.020 0.404 (1;000) ✗ 30/01/17
AlPt3 ICSD 107439 P4/mbm (127) ✔ 8 66 3 0.0 0.000 0.715 (1;001) ✗ 30/01/17
AlPt3 ICSD 656679 I4/mcm (140) ✔ 8 66 3 0.0 0.001 0.579 (0;111) ✗ 30/01/17
YAlPt ICSD 609165 Pnma (62) ✔ 12 96 3 0.0 0.048 0.476 (1;000) ✗ 30/01/17
Rb6AlSb3 ICSD 300217 P2_1/m (11) ✔ 20 144 1 0.3416 0.410 0.000 (0;000) ✗ 30/01/17
Zr5AlSb3 ICSD 609294 P6_3/mcm (193) ✔ 18 76 3 0.0 0.004 0.314 (1;000) ✗ 30/01/17
CaZn3Se4 ICSD 167831 P-43m (215) ✗ 8 70 3 1.2442 1.244 0.000 (0;000) ✗ 06/10/16
AlSiTe3 ICSD 75001 P-3 (147) ✔ 10 50 2 0.7578 1.020 0.000 (0;000) ✗ 30/01/17
Cu3Ge ICSD 86003 Pnmm (59) ✔ 8 74 3 0.0 0.000 0.913 (1;000) ✗ 06/10/16
Y2Al ICSD 58211 Pnma (62) ✔ 12 100 3 0.0 0.000 0.573 (0;011) ✗ 30/01/17
Ca3ZnSe4 ICSD 167833 P-43m (215) ✗ 8 66 1 1.9339 2.000 0.000 (0;000) ✗ 06/10/16
Ba2GeAs2 ICSD 35151 P2_1/c (14) ✔ 20 136 1 0.5906 0.728 0.000 (0;000) ✗ 30/01/17
TaN ICSD 644712 P-62m (189) ✗ 6 54 3 0.0 0.000 0.289 (0;100) ✔ 06/10/16
Cu3Sb ICSD 44479 Pmmn (59) ✔ 8 76 3 0.0 0.003 0.193 (1;000) ✗ 27/01/17
Ba4As2O ICSD 33905 I4/mmm (139) ✔ 7 56 1 0.5273 0.527 0.000 (0;000) ✗ 30/01/17
CaCdSn ICSD 58878 P-62m (189) ✗ 9 108 3 0.0 0.039 0.239 (1;000) ✔ 05/12/16
Ca(GePt)2 ICSD 619327 P2_1 (4) ✗ 10 76 3 0.0 0.126 0.862 (0;000) ✔ 05/12/16
Cs3BAs2 ICSD 300122 C2/c (15) ✔ 12 80 1 1.6808 1.772 0.000 (0;000) ✗ 30/01/17
K4BeAs2 ICSD 300111 R-3m (166) ✔ 7 50 1 0.8884 0.888 0.000 (0;000) ✗ 30/01/17
K3BAs2 ICSD 300105 C2/c (15) ✔ 12 80 1 1.3279 1.768 0.000 (0;000) ✗ 30/01/17
Rb3BAs2 ICSD 402082 C2/c (15) ✔ 12 80 1 1.3651 1.757 0.000 (0;000) ✗ 30/01/17
TiAu ICSD 612415 P4/nmm (129) ✔ 4 46 3 0.0 0.000 0.844 (1;001) ✗ 05/01/17
Cs2As2Pd ICSD 69647 Cmcm (63) ✔ 10 92 1 0.8383 0.933 0.000 (0;000) ✗ 30/01/17
Cu3Sb ICSD 628990 Pmnm (59) ✔ 8 76 3 0.0 0.012 0.233 (1;000) ✗ 06/10/16
CaSnHg ICSD 602726 P6_3mc (186) ✗ 6 72 3 0.0 0.049 0.221 (0;000) ✔ 28/10/16
V3Au ICSD 612459 Pm-3n (223) ✔ 8 100 3 0.0 0.000 0.652 (1;111) ✗ 05/01/17
Sr(GaAs)2 ICSD 422527 P2/m (10) ✔ 20 184 3 0.2417 0.242 0.000 (0;000) ✗ 30/01/17
K2NaGaAs2 ICSD 300129 Ibam (72) ✔ 12 100 1 0.8897 0.890 0.000 (0;000) ✗ 30/01/17
Ge2Te5As2 ICSD 68112 P-3m1 (164) ✔ 9 48 2 0.1138 0.188 0.000 (0;000) ✗ 30/01/17
Ge5(Te4As)2 ICSD 63174 P-3m1 (164) ✔ 15 78 2 0.0 0.027 0.089 (1;001) ✗ 30/01/17
CaIrO3 ICSD 159030 Cmc2_1 (36) ✗ 10 90 2 0.0 0.000 0.405 (1;001) ✔ 05/12/16
HfAs2 ICSD 610636 Pnma (62) ✔ 12 88 3 0.0 0.011 0.111 (1;000) ✗ 30/01/17
K4HgAs2 ICSD 402573 R-3m (166) ✔ 7 58 1 0.7813 0.781 0.000 (0;000) ✗ 30/01/17
K2NaInAs2 ICSD 300137 Ibam (72) ✔ 12 100 1 0.6694 0.669 0.000 (0;000) ✗ 30/01/17
CO2 ICSD 188890 I-42d (122) ✗ 6 32 3 7.0217 7.119 0.000 (0;000) ✗ 06/10/16
K2NiAs2 ICSD 300120 Cmcm (63) ✔ 10 76 1 0.1072 0.117 0.000 (0;000) ✗ 30/01/17
K2As2Pd ICSD 32009 Cmcm (63) ✔ 10 92 1 0.6777 0.686 0.000 (0;000) ✗ 30/01/17
K2As2Pt ICSD 610762 Cmcm (63) ✔ 10 76 1 0.2624 0.291 0.000 (0;000) ✗ 30/01/17
TaN ICSD 644729 Cm2m (38) ✗ 6 54 3 0.0 0.000 0.288 (1;100) ✔ 06/10/16
K2SiAs2 ICSD 40426 Ibam (72) ✔ 10 64 1 1.0103 1.409 0.000 (0;000) ✗ 30/01/17
Cu3Sn ICSD 150503 Pmnm (59) ✔ 8 94 3 0.0 0.000 0.939 (0;000) ✗ 06/10/16
CaIrO3 ICSD 159031 Cmc2_1 (36) ✗ 10 74 2 0.0 0.000 0.393 ? ✗ 06/10/16
NbNiAs2 ICSD 38412 Pnma (62) ✔ 16 132 3 0.0 0.001 0.329 (0;011) ✗ 30/01/17
HfB12 ICSD 614421 Fm-3m (225) ✔ 13 48 3 0.0 0.000 0.835 (0;000) ✗ 05/01/17
CaIrO3 ICSD 159032 Cmc2_1 (36) ✗ 10 74 2 0.0 0.000 0.318 ? ✗ 06/10/16
NiB12 ICSD 614986 Fm-3m (225) ✔ 13 46 3 0.0 0.000 0.619 (0;000) ✗ 05/01/17
Sr(AsO3)2 ICSD 420297 P6_3/mcm (193) ✔ 18 112 2 3.844 4.081 0.000 (0;000) ✗ 30/01/17
B12S ICSD 150626 R-3m (166) ✔ 13 42 3 0.0 0.009 0.230 (0;000) ✗ 05/01/17
TiCu3 ICSD 107712 Pmmn (59) ✔ 8 90 3 0.0 0.000 0.795 (1;000) ✗ 27/01/17
Sr(AsPt)2 ICSD 418156 P2_1/c (14) ✔ 20 160 3 0.0 0.001 0.827 (0;111) ✗ 30/01/17
CaMoO ICSD 187218 P1 (1) ✗ 12 120 1 0.0 0.008 0.783 (1;000) ✔ 05/12/16
Rb2As2Pt ICSD 107529 Cmcm (63) ✔ 10 76 1 0.364 0.394 0.000 (0;000) ✗ 30/01/17
Rb2SiAs2 ICSD 60617 Ibam (72) ✔ 10 64 1 1.0031 1.379 0.000 (0;000) ✗ 30/01/17
Ba2Ca(BO3)2 ICSD 80429 C2/m (12) ✔ 11 72 1 4.2772 4.277 0.000 (0;000) ✗ 05/01/17
As2Rh ICSD 657340 P2_1/c (14) ✔ 12 108 3 0.3743 0.424 0.000 (0;000) ✗ 30/01/17
CaPdPb ICSD 106355 P-62m (189) ✗ 9 126 3 0.0 0.000 0.592 (1;100) ✔ 05/12/16
Ba2Cd(BO3)2 ICSD 180954 C2/m (12) ✔ 11 74 2 3.3341 3.334 0.000 (0;000) ✗ 05/01/17
Ba2Mg(BO3)2 ICSD 75986 R-3m (166) ✔ 11 72 1 4.8916 4.892 0.000 (0;000) ✗ 05/01/17
TcN ICSD 167870 F-43m (216) ✗ 2 20 3 6.2963 0.005 1.000 (0;000) ✗ 06/10/16
SiAs2 ICSD 24801 Pa3 (205) ✔ 12 56 3 0.0 0.371 0.357 (0;000) ✗ 30/01/17
TlF ICSD 30268 Fmmm (69) ✔ 2 20 1 1.7905 1.791 0.000 (0;000) ✗ 06/10/16
Zr3As2 ICSD 611611 Pnma (62) ✔ 20 88 3 0.0 0.002 0.390 (1;000) ✗ 30/01/17
ZrAs2 ICSD 20292 Pnma (62) ✔ 12 56 3 0.0 0.028 0.054 (1;000) ✗ 30/01/17
CaSiPt ICSD 72640 P2_13 (198) ✗ 12 96 3 0.0 0.000 0.533 (0;000) ✔ 05/12/16
Ba5As3 ICSD 43872 P6_3/mcm (193) ✔ 16 130 1 0.0 0.000 0.726 (0;000) ✗ 30/01/17
Hg2As3Br ICSD 75169 C2/c (15) ✔ 12 92 3 0.9002 1.173 0.000 (0;000) ✗ 30/01/17