≤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
BaBiClO2 ICSD 79532 Cmcm (63) ✔ 10 88 1 3.0027 3.028 0.000 (0;000) ✗ 02/02/17
BaMnBiF ICSD 426033 P4/nmm (129) ✔ 8 94 1 0.0 0.000 0.869 (0;000) ✗ 02/02/17
BaBiIO2 ICSD 97511 Cmcm (63) ✔ 10 88 2 2.3517 2.401 0.000 (0;000) ✗ 02/02/17
BaBiO3 COD 2100569 P2_1/c (14) ✔ 20 172 3 0.0 1.096 0.032 (0;000) ✗ 02/02/17
BaH4(BrO)2 ICSD 33949 C2/c (15) ✔ 18 80 1 4.3322 4.332 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
BaBrCl ICSD 35458 Pnma (62) ✔ 12 96 1 4.6167 4.617 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
BaCaPb ICSD 615799 Pnma (62) ✔ 12 136 1 0.0423 0.082 0.000 (0;000) ✗ 02/02/17
BaCaSi ICSD 52682 Pnma (62) ✔ 12 96 1 0.0365 0.037 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
Ba2Pd(OF)2 ICSD 98141 I4/mmm (139) ✔ 7 64 1 0.0 0.409 0.492 (0;000) ✗ 05/01/17
BaCdSbF ICSD 421815 P4/nmm (129) ✔ 8 68 1 0.0848 0.085 0.000 (0;000) ✗ 02/02/17
BaCdO2 ICSD 25555 Pnma (62) ✔ 16 136 3 1.0459 1.070 0.000 (0;000) ✗ 02/02/17
BaCdS2 ICSD 66655 Pnma (62) ✔ 16 136 3 1.8142 1.814 0.000 (0;000) ✗ 02/02/17
BaCdSb2 ICSD 52683 I4/mmm (139) ✔ 8 64 1 0.0 0.030 0.180 (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
BaSbClO2 ICSD 200962 Cmcm (63) ✔ 10 68 1 0.8819 2.937 1.000 (0;000) ✗ 02/02/17
TlClO3 ICSD 76434 R3m (160) ✗ 5 38 1 3.9476 4.010 0.000 (0;000) ✗ 06/10/16
Ba2NiF6 ICSD 21056 I4/mmm (139) ✔ 9 72 1 0.0 0.004 0.707 (0;000) ✗ 05/01/17
Ba(CuS)2 COD 1521193 Pnma (62) ✔ 20 176 3 0.8873 0.887 0.000 (0;000) ✗ 02/02/17
Ba2ZnF6 ICSD 21054 I4/mmm (139) ✔ 9 74 1 4.9269 5.772 0.000 (0;000) ✗ 05/01/17
Ba(CuSe)2 COD 1521194 Pnma (62) ✔ 20 176 3 0.4905 0.491 0.000 (0;000) ✗ 02/02/17
Ba(CuTe)2 ICSD 51444 Pnma (62) ✔ 20 176 3 0.4661 0.483 0.000 (0;000) ✗ 02/02/17
BaCu4S3 COD 1527568 Cmcm (63) ✔ 16 144 1 0.3901 0.626 0.000 (0;000) ✗ 02/02/17
TeRhCl ICSD 405714 Cm (8) ✗ 6 60 2 0.7234 0.728 0.000 (0;000) ✗ 06/10/16
BaCu ICSD 58646 P6_3/mmc (194) ✔ 8 84 2 0.0 0.003 0.217 (0;000) ✗ 02/02/17
Ba2FeWO6 ICSD 99061 Fm-3m (225) ✔ 10 78 3 0.3613 0.364 0.000 (0;000) ✗ 05/01/17
Ba2NF ICSD 262049 R-3m (166) ✔ 4 32 1 0.9466 0.947 0.000 (0;000) ✗ 05/01/17
RuC ICSD 43671 P-6m2 (187) ✗ 2 20 3 0.0 0.015 0.329 (0;000) ✔ 06/10/16
BaScCuS3 ICSD 659165 Cmcm (63) ✔ 12 100 2 0.9651 1.125 0.000 (0;000) ✗ 02/02/17
BaYCuS3 ICSD 659166 Cmcm (63) ✔ 12 100 2 1.3296 1.455 0.000 (0;000) ✗ 02/02/17
BaYCuSe3 ICSD 659169 Cmcm (63) ✔ 12 100 2 1.0243 1.216 0.000 (0;000) ✗ 02/02/17
Nb2O5 ICSD 25765 C2/m (12) ✔ 7 56 3 2.6685 3.191 0.000 (0;000) ✗ 27/01/17
BaYCuTe3 ICSD 88716 Cmcm (63) ✔ 12 100 2 0.2644 0.632 0.000 (0;000) ✗ 02/02/17
BaPdF4 ICSD 108991 I4/mcm (140) ✔ 12 112 1 1.5233 1.523 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
BaZrF6 ICSD 36122 Cmme (67) ✔ 16 112 1 6.4655 6.524 0.000 (0;000) ✗ 02/02/17
Ni2Ge ICSD 637346 P6_3/mmc (194) ✔ 6 48 3 0.0 0.005 0.733 (0;000) ✗ 06/10/16
Ba2HfS4 ICSD 80652 I4/mmm (139) ✔ 7 56 2 0.8433 0.897 0.000 (0;000) ✗ 05/01/17
S(ClO)2 ICSD 62970 F2dd (43) ✗ 10 64 1 4.2223 4.232 0.000 (0;000) ✗ 06/10/16
Ba(FeSb3)4 ICSD 658735 Im3 (204) ✔ 17 102 3 0.0 0.012 0.521 (0;000) ✗ 02/02/17
BaSbSe2F COD 1101163 P-1 (2) ✔ 20 136 1 1.1197 1.373 0.000 (0;000) ✗ 02/02/17
Ba(GaP)2 COD 4316404 P2_1/c (14) ✔ 20 184 1 1.428 1.428 0.000 (0;000) ✗ 02/02/17
Ba2HN COD 4030485 R-3m (166) ✔ 4 26 1 1.046 1.336 0.000 (0;000) ✗ 05/01/17
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
Ba2NbInO6 ICSD 99698 Fm-3m (225) ✔ 10 82 3 3.7079 3.781 0.000 (0;000) ✗ 05/01/17
GeO2 ICSD 158598 Pmnn (58) ✔ 6 32 3 3.2329 3.286 0.000 (0;000) ✗ 06/10/16
CsGeCl3 ICSD 23121 R3 (146) ✗ 5 34 1 2.3076 2.309 0.000 (0;000) ✗ 28/10/16
BaGe3 ICSD 261651 P6_3/mmc (194) ✔ 8 44 1 0.0 0.001 0.862 (0;000) ✗ 02/02/17
Ba2TaInO6 ICSD 189520 Fm-3m (225) ✔ 10 82 3 4.0575 4.058 0.000 (0;000) ✗ 05/01/17
ZnO ICSD 190807 Fm-3m (225) ✔ 2 18 3 0.9046 2.298 0.000 (0;000) ✗ 27/01/17
BaH2 ICSD 615909 Pnma (62) ✔ 12 48 1 2.9001 3.374 0.000 (0;000) ✗ 02/02/17
Cs3LiCl4 ICSD 245969 Cm2m (38) ✗ 8 58 1 4.5309 4.531 0.000 (0;000) ✗ 28/10/16
BaV2Ni3(HO5)2 ICSD 424330 C2/m (12) ✔ 18 128 2 0.0 0.006 0.659 (0;000) ✗ 02/02/17
BaH4(IO)2 ICSD 407360 C2/c (15) ✔ 18 80 1 3.6524 3.669 0.000 (0;000) ✗ 02/02/17
BaHfS3 ICSD 615918 Pnma (62) ✔ 20 160 3 1.2402 1.240 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
Ba2YIrO6 ICSD 152679 Fm-3m (225) ✔ 10 84 3 0.0 0.346 0.323 (0;000) ✗ 05/01/17
BaIn2Ir ICSD 414434 Cmcm (63) ✔ 8 106 3 0.0 0.000 0.789 (0;000) ✗ 02/02/17
Ba(InP)2 COD 2017325 P2_1/m (11) ✔ 20 184 1 0.3999 0.411 0.000 (0;000) ✗ 02/02/17
Ba2LiReO6 ICSD 109259 Fm-3m (225) ✔ 10 74 1 1.8305 1.905 0.000 (0;000) ✗ 05/01/17
MnCO3 COD 9007691 R-3c (167) ✔ 10 74 3 0.0 0.001 0.699 (0;000) ✗ 27/01/17
Ba(InTe2)2 ICSD 41168 Cccm (66) ✔ 14 120 1 0.7434 1.163 0.000 (0;000) ✗ 02/02/17
BaIn4Ir COD 4305632 Pmma (51) ✔ 12 158 3 0.0 0.000 0.878 (0;000) ✗ 02/02/17
Ba(SiIr)2 ICSD 50159 P2_1/c (14) ✔ 20 208 3 0.0 0.225 0.604 (0;000) ✗ 02/02/17
BaMg2 COD 4311321 P6_3/mmc (194) ✔ 12 120 1 0.0 0.001 0.718 (0;000) ✗ 02/02/17
CrCl3 ICSD 22080 C2/m (12) ✔ 8 70 2 0.0 0.028 0.272 (0;000) ✗ 27/01/17
MgH4(ClO)2 COD 2103098 C2/m (12) ✔ 9 40 2 5.5706 5.571 0.000 (0;000) ✗ 27/01/17
BaMnO3 ICSD 23874 P6_3/mmc (194) ✔ 20 172 3 0.0 0.010 0.301 (0;000) ✗ 02/02/17
FeCl2 COD 9015767 P-3m1 (164) ✔ 3 22 2 0.5433 0.550 0.000 (0;000) ✗ 27/01/17
BaMnSb2 COD 7221197 I4/mmm (139) ✔ 8 70 1 0.0 0.000 0.856 (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
Ba(MoSe)3 ICSD 615982 P6_3/m (176) ✔ 14 140 3 0.0 0.001 0.671 (0;000) ✗ 02/02/17
As2Ir ICSD 42573 P2_1/c (14) ✔ 12 76 3 0.9232 1.038 0.000 (0;000) ✗ 06/10/16
MoAs2 ICSD 16820 C2 (5) ✗ 6 48 3 0.0 0.044 0.308 (0;000) ✔ 06/10/16
BaMoO4 COD 2300459 I4_1/a (88) ✔ 12 96 1 4.5904 4.590 0.000 (0;000) ✗ 02/02/17
BaSiN2 COD 4311195 Cmce (64) ✔ 16 96 1 3.0265 3.093 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
Nb2O5 ICSD 51176 C2 (5) ✗ 7 56 3 0.0 0.431 0.107 (0;000) ✔ 06/10/16
BaNb2V2O11 ICSD 165097 R-3m (166) ✔ 16 128 2 2.2681 2.270 0.000 (0;000) ✗ 02/02/17
BaNb2O6 ICSD 28253 Pmma (51) ✔ 18 144 3 1.3837 1.410 0.000 (0;000) ✗ 02/02/17
BaNb2O6 ICSD 39272 P2_1/c (14) ✔ 18 144 3 2.717 3.205 0.000 (0;000) ✗ 02/02/17
BaNbS3 ICSD 659538 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.531 (0;000) ✗ 02/02/17
BaSO2 COD 1524206 Pnma (62) ✔ 16 112 1 0.999 1.033 0.000 (0;000) ✗ 02/02/17
ReNCl4 ICSD 10126 P1 (1) ✗ 6 48 1 1.098 1.204 0.000 (0;000) ✗ 06/10/16
BaRuO3 ICSD 84652 P6_3/mmc (194) ✔ 20 176 3 0.0 0.006 0.695 (0;000) ✗ 02/02/17
Ba2MgTeO6 ICSD 191563 Fm-3m (225) ✔ 10 72 3 2.0974 2.097 0.000 (0;000) ✗ 05/01/17
BaY2PdO5 COD 1000242 P4/mbm (127) ✔ 18 160 3 2.2474 2.377 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
Ba(TeO3)2 ICSD 8017 Cmcm (63) ✔ 18 116 2 2.1918 2.567 0.000 (0;000) ✗ 02/02/17
Ba(Sb3Os)4 ICSD 658736 Im3 (204) ✔ 17 134 3 0.0 0.015 0.642 (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
Ba2MgWO6 ICSD 152572 Fm-3m (225) ✔ 10 80 3 2.7544 2.831 0.000 (0;000) ✗ 05/01/17