≤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
Ba3CrN3 ICSD 154802 P6_3/m (176) ✔ 14 118 1 0.0 0.000 0.336 (0;000) ✗ 02/02/17
Ba3CrO5 ICSD 73893 I4/mcm (140) ✔ 18 148 1 0.0 0.000 0.531 (1;000) ✗ 02/02/17
Ba3(GeN)2 COD 1005031 P2_1/m (11) ✔ 14 96 1 0.0 0.017 0.965 (0;010) ✗ 02/02/17
Ba3Ge5 ICSD 167163 Cmcm (63) ✔ 16 100 1 0.0 0.004 0.405 (1;110) ✗ 02/02/17
Ba3(LiSn2)4 ICSD 240016 C2/m (12) ✔ 15 154 1 0.0 0.021 0.313 (1;000) ✗ 02/02/17
Ba3LiN ICSD 245652 P6_3/mmc (194) ✔ 10 76 1 0.0 0.002 0.574 (1;000) ✗ 02/02/17
Ba3MnN3 ICSD 80771 P6_3/m (176) ✔ 14 120 1 0.0 0.001 0.960 (1;000) ✗ 02/02/17
Ba3N ICSD 77730 P6_3/mcm (193) ✔ 8 70 1 0.0 0.000 0.810 (0;000) ✗ 02/02/17
Ba3SiO5 COD 2106454 I4/mcm (140) ✔ 18 128 1 3.5175 3.553 0.000 (0;000) ✗ 02/02/17
Ba3V2O8 COD 4305862 R-3m (166) ✔ 13 104 1 3.6786 3.872 0.000 (0;000) ✗ 02/02/17
Ba3TiS5 COD 1530517 I4/mcm (140) ✔ 18 144 1 1.4393 1.439 0.000 (0;000) ✗ 02/02/17
Ba4Sb2O ICSD 402284 I4/mmm (139) ✔ 7 56 1 0.2284 0.228 0.000 (0;000) ✗ 02/02/17
Ba5Bi3 ICSD 41839 P6_3/mcm (193) ✔ 16 190 1 0.0 0.000 0.703 (1;000) ✗ 02/02/17
Ba5Sb3 ICSD 616108 P6_3/mcm (193) ✔ 16 130 1 0.0 0.000 0.631 (0;000) ✗ 02/02/17
Ba5Sb4 COD 2008660 Cmce (64) ✔ 18 140 1 0.2358 0.564 0.000 (0;000) ✗ 02/02/17
Ba6Re2N6O ICSD 419636 R-3 (148) ✔ 15 126 1 0.0 0.046 0.473 (1;111) ✗ 02/02/17
Ba9In4 ICSD 421410 I4/m (87) ✔ 13 142 1 0.0 0.002 0.722 (1;000) ✗ 02/02/17
BaZnBi2 ICSD 58638 I4/mmm (139) ✔ 8 104 1 0.0 0.043 0.147 (0;000) ✗ 02/02/17
BaBiClO2 ICSD 79532 Cmcm (63) ✔ 10 88 1 3.0027 3.028 0.000 (0;000) ✗ 02/02/17
Ba(BrO3)2 ICSD 66035 C2/c (15) ✔ 18 120 1 4.4622 4.477 0.000 (0;000) ✗ 02/02/17
BaBr2 COD 1527183 Pnma (62) ✔ 12 96 1 4.134 4.134 0.000 (0;000) ✗ 02/02/17
BaPb2BrF5 ICSD 411087 P4/nmm (129) ✔ 18 160 1 2.9629 3.107 0.000 (0;000) ✗ 02/02/17
BaCaGe ICSD 52681 Pnma (62) ✔ 12 96 1 0.1551 0.155 0.000 (0;000) ✗ 02/02/17
BaCaSn ICSD 58641 Pnma (62) ✔ 12 136 1 0.2045 0.227 0.000 (0;000) ✗ 02/02/17
BaCdSbF ICSD 421815 P4/nmm (129) ✔ 8 68 1 0.0848 0.085 0.000 (0;000) ✗ 02/02/17
BaCl2 COD 1527182 Pnma (62) ✔ 12 96 1 4.8999 4.900 0.000 (0;000) ✗ 02/02/17
BaHClO ICSD 74721 Pnma (62) ✔ 16 96 1 5.0229 5.024 0.000 (0;000) ✗ 02/02/17
BaSnF4 ICSD 166207 P4/nmm (129) ✔ 12 104 1 3.6554 3.729 0.000 (0;000) ✗ 02/02/17
BaPb2IF5 ICSD 411088 P4/nmm (129) ✔ 18 160 1 2.5121 2.681 0.000 (0;000) ✗ 02/02/17
BaFe2S3 COD 1527523 Cmcm (63) ✔ 12 88 1 0.0 0.025 0.346 (0;110) ✗ 02/02/17
BaFe2Se3 ICSD 290596 Cmcm (63) ✔ 12 88 1 0.0 0.001 0.469 (1;000) ✗ 02/02/17
Ba(GaSe2)2 ICSD 24386 Cccm (66) ✔ 14 120 1 1.6402 1.861 0.000 (0;000) ✗ 02/02/17
BaGaGe ICSD 615870 P6_3/mmc (194) ✔ 12 108 1 0.0 0.006 0.891 (0;000) ✗ 02/02/17
BaGe3 ICSD 261651 P6_3/mmc (194) ✔ 8 44 1 0.0 0.001 0.862 (0;000) ✗ 02/02/17
BaGe5 COD 4341884 Imma (74) ✔ 12 60 1 0.0 0.013 0.886 (0;111) ✗ 02/02/17
BaH2 ICSD 615913 Cmcm (63) ✔ 6 24 1 1.7224 2.854 0.000 (0;000) ✗ 02/02/17
Ba(IO3)2 ICSD 23276 C2/c (15) ✔ 18 120 1 3.775 3.843 0.000 (0;000) ✗ 02/02/17
BaI2 COD 1527184 Pnma (62) ✔ 12 96 1 2.9738 2.974 0.000 (0;000) ✗ 02/02/17
Ba(MoSe)3 ICSD 603615 P6_3/m (176) ✔ 14 140 1 0.0 0.001 0.675 (0;000) ✗ 02/02/17
BaMoO4 COD 2300459 I4_1/a (88) ✔ 12 96 1 4.5904 4.590 0.000 (0;000) ✗ 02/02/17
BaN6 COD 8103674 P2_1/m (11) ✔ 14 80 1 3.9887 3.989 0.000 (0;000) ✗ 02/02/17
BaNa2 COD 7221378 P6_3/mmc (194) ✔ 12 112 1 0.0 0.002 0.455 (1;000) ✗ 02/02/17
BaSO2 COD 1524206 Pnma (62) ✔ 16 112 1 0.999 1.033 0.000 (0;000) ✗ 02/02/17
BaPd(SeO3)2 ICSD 423571 C2/c (15) ✔ 20 152 1 1.5909 1.856 0.000 (0;000) ✗ 02/02/17
BaP8 ICSD 96544 P-1 (2) ✔ 18 100 1 0.7672 1.147 0.000 (0;000) ✗ 02/02/17
BaPd COD 9016560 C2/c (15) ✔ 4 56 1 0.0 0.010 0.519 (1;000) ✗ 02/02/17
BaSnS2 ICSD 2587 P2_1/c (14) ✔ 16 144 1 1.7505 1.836 0.000 (0;000) ✗ 02/02/17
BaTeS3 ICSD 8 Pnma (62) ✔ 20 136 1 1.8106 2.025 0.000 (0;000) ✗ 02/02/17
BaTiS3 COD 2310546 P6_3/mmc (194) ✔ 10 80 1 0.0 0.019 0.133 (0;000) ✗ 02/02/17
BaSb2 COD 8100903 P2_1/m (11) ✔ 6 40 1 0.0 0.056 0.102 (0;010) ✗ 02/02/17
BaTaSe3 ICSD 659547 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.422 (0;000) ✗ 02/02/17
BaVSe3 COD 1521756 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.358 (0;000) ✗ 02/02/17
BaZrSe3 ICSD 616136 P6_3/mmc (194) ✔ 10 64 1 0.0 0.005 0.254 (0;000) ✗ 02/02/17
Sr2FeO3F ICSD 93510 P4/nmm (129) ✔ 14 106 1 0.0 0.000 0.858 (0;000) ✗ 27/01/17
BaBiBS4 COD 4316058 C2/m (12) ✔ 14 104 1 1.6965 1.890 0.000 (0;000) ✗ 02/02/17
BBr3 COD 1511460 P6_3/m (176) ✔ 8 48 1 3.5808 3.886 0.000 (0;000) ✗ 02/02/17
KZnB(H2Cl)2 ICSD 174294 P2_1/m (11) ✔ 18 84 1 4.9323 4.932 0.000 (0;000) ✗ 02/02/17
Cs3BP2 COD 8103455 C2/c (15) ✔ 12 80 1 1.8676 1.908 0.000 (0;000) ✗ 02/02/17
CsNa2BO3 ICSD 67524 Pmmn (59) ✔ 14 96 1 3.5967 3.648 0.000 (0;000) ✗ 02/02/17
Rb3NaBe2F8 COD 1008068 P-3m1 (164) ✔ 14 100 1 6.6979 6.755 0.000 (0;000) ✗ 02/02/17
Be2Ru ICSD 616410 P6_3/mmc (194) ✔ 12 96 1 0.0 0.003 0.511 (0;000) ✗ 02/02/17
KSO2F ICSD 93058 P2_1/m (11) ✔ 10 68 1 4.566 4.574 0.000 (0;000) ✗ 27/01/17
BeI2 COD 1526852 Ibam (72) ✔ 6 36 1 3.5201 3.752 0.000 (0;000) ✗ 02/02/17
H3OF ICSD 24382 Pnma (62) ✔ 20 64 1 6.8666 6.867 0.000 (0;000) ✗ 27/01/17
BeSO8 COD 9014047 I4/mcm (140) ✔ 20 116 1 0.0 0.002 0.475 (1;000) ✗ 02/02/17
KSeO2F ICSD 78398 P2_1/m (11) ✔ 10 68 1 3.8904 3.918 0.000 (0;000) ✗ 27/01/17
Cs3Bi2 COD 4116198 C2/c (15) ✔ 10 114 1 0.0 0.000 0.262 (0;011) ✗ 02/02/17
SrZnBi2 ICSD 41924 I4/mmm (139) ✔ 8 104 1 0.0 0.031 0.134 (0;000) ✗ 02/02/17
F2 COD 9012471 C2/m (12) ✔ 2 14 1 2.5205 2.521 0.000 (0;000) ✗ 27/01/17
TaBi4ClO8 ICSD 59601 P4/mmm (123) ✔ 14 128 1 0.4995 1.233 0.000 (0;000) ✗ 02/02/17
BiSeBr ICSD 76649 Pnma (62) ✔ 12 112 1 0.595 0.788 0.000 (0;000) ✗ 02/02/17
BiSBr ICSD 31389 Pnma (62) ✔ 12 112 1 1.4144 1.467 0.000 (0;000) ✗ 02/02/17
SrMnSbF ICSD 189941 P4/nmm (129) ✔ 8 74 1 0.0 0.000 0.875 (1;001) ✗ 27/01/17
RbSO2F ICSD 89603 P2_1/m (11) ✔ 10 68 1 4.7165 4.722 0.000 (0;000) ✗ 27/01/17
BiSeCl ICSD 40862 Pnma (62) ✔ 12 112 1 1.2742 1.277 0.000 (0;000) ✗ 02/02/17
Cs2KBiF6 ICSD 9383 Fm-3m (225) ✔ 10 84 1 4.0251 4.138 0.000 (0;000) ✗ 02/02/17
Cs3Bi ICSD 659568 Fm-3m (225) ✔ 4 42 1 0.1791 0.627 0.000 (0;000) ✗ 02/02/17
SrBiS2F ICSD 250892 P4/nmm (129) ✔ 10 88 1 0.4653 0.478 0.000 (0;000) ✗ 02/02/17
SrBiIO2 ICSD 97510 Cmcm (63) ✔ 10 88 1 2.5655 2.661 0.000 (0;000) ✗ 02/02/17
BiI COD 1528276 C2/m (12) ✔ 8 88 1 0.1394 0.155 0.000 (0;001) ✗ 02/02/17
BiSeI COD 2010577 Pnma (62) ✔ 12 112 1 0.8997 0.935 0.000 (0;000) ✗ 02/02/17
SrLiBi ICSD 58800 Pnma (62) ✔ 12 112 1 0.0791 0.079 0.000 (0;000) ✗ 02/02/17
Na3BiO4 COD 1525239 P2/c (13) ✔ 16 132 1 1.329 1.347 0.000 (0;000) ✗ 02/02/17
BiPPb2 COD 1531358 Pnma (62) ✔ 16 192 1 0.0 0.031 0.331 (0;000) ✗ 02/02/17
Rb3Bi ICSD 616997 P6_3/mmc (194) ✔ 8 84 1 0.0 0.005 0.053 (0;000) ✗ 02/02/17
SbOF COD 1528321 Pnma (62) ✔ 12 72 1 0.0 3.503 1.000 (0;000) ✗ 27/01/17
Sr2Bi COD 9008355 I4/mmm (139) ✔ 6 70 1 0.0 0.033 0.051 (0;111) ✗ 02/02/17
SrZnPF COD 7203808 P4/nmm (129) ✔ 8 68 1 0.8953 0.895 0.000 (0;000) ✗ 27/01/17
TlF COD 1520825 P4/nmm (129) ✔ 4 40 1 2.7739 2.809 0.000 (0;000) ✗ 27/01/17
Sr3BPO3 ICSD 401207 P6_3/mmc (194) ✔ 16 112 1 2.106 2.352 0.000 (0;000) ✗ 02/02/17
Rb3BP2 COD 8103471 C2/c (15) ✔ 12 80 1 1.6726 2.002 0.000 (0;000) ✗ 02/02/17
RbF COD 9008708 Fm-3m (225) ✔ 2 16 1 5.7132 5.782 0.000 (0;000) ✗ 27/01/17
SrZnSbF ICSD 189935 P4/nmm (129) ✔ 8 68 1 0.0103 0.016 0.000 (0;000) ✗ 27/01/17
SnBr2 ICSD 411177 Pnma (62) ✔ 12 112 1 2.2341 2.269 0.000 (0;000) ✗ 02/02/17
CaInBr3 ICSD 54138 Cmcm (63) ✔ 10 88 1 3.0299 3.205 0.000 (0;000) ✗ 02/02/17
CsCdBr3 COD 1527655 P6_3/mmc (194) ✔ 10 84 1 2.7458 2.746 0.000 (0;000) ✗ 02/02/17
CsCu2Br3 ICSD 150304 Cmcm (63) ✔ 12 104 1 1.5921 1.592 0.000 (0;000) ✗ 02/02/17
CsFeBr3 ICSD 174041 P6_3/mmc (194) ✔ 10 76 1 0.0 0.042 0.009 (0;000) ✗ 02/02/17
CsMgBr3 ICSD 87260 P6_3/mmc (194) ✔ 10 80 1 4.2366 4.237 0.000 (0;000) ✗ 02/02/17
CsMnBr3 COD 1532232 P6_3/mmc (194) ✔ 10 90 1 0.0 0.000 0.764 (0;000) ✗ 02/02/17