≤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
BaN2 COD 4327589 C2/c (15) ✔ 6 40 1 0.0 0.022 0.618 (0;000) ✗ 05/01/17
BaMo(PO4)2 COD 1001653 C2/m (12) ✔ 12 82 2 0.0 0.057 0.693 (0;000) ✗ 05/01/17
PtCCl2O COD 2102529 P4_2/m (84) ✔ 20 136 2 1.4271 1.435 0.000 (0;000) ✗ 02/02/17
BaMnO3 COD 1524992 P6_3/mmc (194) ✔ 10 86 1 0.0 0.000 0.345 (0;000) ✗ 05/01/17
CaCO3 COD 2106394 P2_1/c (14) ✔ 20 128 1 4.9865 5.058 0.000 (0;000) ✗ 02/02/17
BaCO3 COD 9006846 Pnma (62) ✔ 20 128 1 4.2133 4.219 0.000 (0;000) ✗ 02/02/17
Ba(MnP)2 COD 7221162 I4/mmm (139) ✔ 5 50 2 0.0 0.007 0.827 (0;111) ✗ 05/01/17
BaMn2O3 COD 2002227 Immm (71) ✔ 6 58 3 0.0 0.018 0.450 (0;000) ✗ 05/01/17
SrCaSn COD 1528699 Pnma (62) ✔ 12 136 1 0.2503 0.255 0.000 (0;000) ✗ 02/02/17
BaMgSi COD 9008329 P4/nmm (129) ✔ 6 48 1 0.0 0.008 0.169 (1;001) ✗ 05/01/17
SrCaPb COD 1528700 Pnma (62) ✔ 12 136 1 0.1438 0.163 0.000 (0;000) ✗ 02/02/17
CaZn(SiO3)2 COD 2014614 C2/c (15) ✔ 20 132 3 4.3367 4.435 0.000 (0;000) ✗ 02/02/17
CaZrO3 COD 1532747 Pnma (62) ✔ 20 128 3 3.4975 3.498 0.000 (0;000) ✗ 02/02/17
BaMg4Si3 COD 4322259 P4/mmm (123) ✔ 8 62 3 0.0 0.006 0.336 (1;000) ✗ 05/01/17
CaTiO3 COD 2310618 Pnma (62) ✔ 20 160 3 2.2046 2.205 0.000 (0;000) ✗ 02/02/17
Ba(MgSb)2 COD 7221202 P-3m1 (164) ✔ 5 40 2 0.6084 1.317 0.000 (0;000) ✗ 05/01/17
CaMn(SiO3)2 COD 9000152 C2/c (15) ✔ 20 138 3 0.0 0.000 0.425 (1;101) ✗ 02/02/17
BaLiSb COD 2200086 P6_3/mmc (194) ✔ 6 36 1 0.4311 0.643 0.000 (0;000) ✗ 05/01/17
Co2C COD 1528415 Pnnm (58) ✔ 6 76 3 0.0 0.020 0.325 (0;000) ✗ 27/01/17
BaLi2Si COD 7221325 Pmmn (59) ✔ 8 40 1 0.0 0.011 0.141 (0;000) ✗ 05/01/17
CaMg(SiO3)2 COD 1011057 C2/c (15) ✔ 20 128 3 5.0012 5.001 0.000 (0;000) ✗ 02/02/17
BaLi2(MgSi)2 COD 8101152 R-3m (166) ✔ 7 44 1 0.0 0.311 0.196 (0;000) ✗ 05/01/17
Ba(PIr)2 COD 1531850 I4/mmm (139) ✔ 5 54 2 0.0 0.022 0.646 (0;000) ✗ 05/01/17
Ca(InS2)2 COD 9012322 Fd-3m (227) ✔ 14 120 3 2.2045 2.205 0.000 (0;000) ✗ 02/02/17
Ca(InP)2 COD 2017323 P6_3/mmc (194) ✔ 10 92 2 0.5469 0.684 0.000 (0;000) ✗ 02/02/17
SrCaGe COD 1528698 Pnma (62) ✔ 12 96 1 0.414 0.433 0.000 (0;000) ✗ 02/02/17
CaGePt COD 1527356 Pnma (62) ✔ 12 96 3 0.0 0.054 0.521 (1;000) ✗ 02/02/17
BaSnHg COD 1527795 P6_3/mmc (194) ✔ 6 72 2 0.0 0.015 0.153 (1;000) ✗ 05/01/17
CaGaPt COD 1527281 Pnma (62) ✔ 12 132 3 0.0 0.010 0.817 (0;011) ✗ 02/02/17
CaFeO3 COD 1526751 Pnma (62) ✔ 20 144 3 0.0 0.001 0.551 (0;000) ✗ 02/02/17
CaTi4(FeO4)3 COD 9006334 Im3 (204) ✔ 20 154 3 0.0639 0.072 0.000 (0;000) ✗ 02/02/17
Ca5Si3 COD 1525743 I4/mcm (140) ✔ 16 124 1 0.0 0.004 0.411 (0;000) ✗ 02/02/17
BaNaH3Pd COD 6000621 P6_3/mmc (194) ✔ 12 80 1 1.5304 1.872 0.000 (0;000) ✗ 05/01/17
Ca5(GePd)6 COD 4344105 Im-3m (229) ✔ 17 182 3 0.0 0.000 0.892 (0;111) ✗ 02/02/17
Ca5Ge3 COD 1525750 I4/mcm (140) ✔ 16 124 1 0.0 0.004 0.374 (0;000) ✗ 02/02/17
BaZnGe COD 1527801 P6_3/mmc (194) ✔ 6 52 2 0.0 0.018 0.282 (0;000) ✗ 05/01/17
Ca3VN3 COD 1005013 Cmcm (63) ✔ 14 116 1 0.6765 0.984 0.000 (0;000) ✗ 02/02/17
Ca3CrN3 COD 1005045 Cmcm (63) ✔ 14 118 1 0.0 0.000 0.509 (0;000) ✗ 02/02/17
BaMnGe COD 9008362 P4/nmm (129) ✔ 6 58 1 0.0 0.000 0.812 (0;001) ✗ 05/01/17
Ca2Fe7O11 COD 1524841 C2/m (12) ✔ 20 142 3 0.0 0.003 0.652 (0;001) ✗ 02/02/17
BaMgGe COD 9008328 P4/nmm (129) ✔ 6 48 1 0.0 0.001 0.176 (1;001) ✗ 05/01/17
K2FeNi(CN)6 COD 1010372 Fm-3m (225) ✔ 16 90 3 0.0 0.000 0.507 (0;000) ✗ 02/02/17
BaMg4Ge3 COD 4322260 P4/mmm (123) ✔ 8 62 3 0.0 0.005 0.308 (0;001) ✗ 05/01/17
KTl(CN)4 COD 4308988 I4_1/a (88) ✔ 20 116 1 5.7854 5.883 0.000 (0;000) ✗ 02/02/17
BaGe2 COD 7221343 I4_1/amd (141) ✔ 6 36 3 0.0 0.005 0.182 (1;111) ✗ 05/01/17
H4C4BrN COD 2003427 C2/m (12) ✔ 20 64 2 4.0401 4.124 0.000 (0;000) ✗ 02/02/17
TlB(CN)4 COD 4308590 I4_1/a (88) ✔ 20 104 1 5.027 5.031 0.000 (0;000) ✗ 02/02/17
BaLi2(MgGe)2 COD 8101153 R-3m (166) ✔ 7 44 1 0.0 0.117 0.220 (0;000) ✗ 05/01/17
KBa4Au(CO)4 COD 2002878 I4/mmm (139) ✔ 14 100 2 2.399 2.399 0.000 (0;000) ✗ 02/02/17
H4C3N2Cl COD 2005472 C2/m (12) ✔ 20 66 1 2.2005 2.250 0.000 (0;000) ✗ 02/02/17
BaZnSbF COD 7203813 P4/nmm (129) ✔ 8 68 1 0.0 0.028 0.046 (0;000) ✗ 05/01/17
BaZnPF COD 7203812 P4/nmm (129) ✔ 8 68 1 0.416 0.416 0.000 (0;000) ✗ 05/01/17
CsMn(CN)3 COD 4314775 Fm-3m (225) ✔ 16 102 3 0.0 0.016 0.649 (0;000) ✗ 02/02/17
BaMnPF COD 7203816 P4/nmm (129) ✔ 8 74 1 0.0 0.000 0.850 (0;001) ✗ 05/01/17
Pb(CS)2 COD 4107278 P6/mmm (191) ✔ 15 102 3 0.7085 0.710 0.000 (0;000) ✗ 02/02/17
H6C2SeO COD 2015142 P-1 (2) ✔ 20 52 1 4.0465 4.129 0.000 (0;000) ✗ 02/02/17
Ba(FeP)2 COD 7221161 I4/mmm (139) ✔ 5 36 2 0.0 0.005 0.524 (1;111) ✗ 05/01/17
H2C2I COD 4508289 P-1 (2) ✔ 20 68 1 2.6863 2.762 0.000 (0;000) ✗ 02/02/17
HgH2C2I2N COD 2203720 P-1 (2) ✔ 16 82 3 2.1095 2.167 0.000 (0;000) ✗ 02/02/17
BaCa(CO3)2 COD 9013465 P2_1/m (11) ✔ 20 128 1 4.8058 4.848 0.000 (0;000) ✗ 02/02/17
Tl3BSe3 COD 1511327 P2_1/m (11) ✔ 14 120 1 0.7064 0.794 0.000 (0;000) ✗ 02/02/17
BaSiF6 COD 1530106 R-3m (166) ✔ 8 56 1 7.8259 7.826 0.000 (0;000) ✗ 05/01/17
Tl3BS3 COD 1511323 P2_1/m (11) ✔ 14 120 3 0.9641 1.129 0.000 (0;000) ✗ 02/02/17
HgBr COD 1011061 I4/mmm (139) ✔ 4 38 1 2.4091 2.524 0.000 (0;000) ✗ 02/02/17
BaGeF6 COD 1010206 R-3m (166) ✔ 8 56 1 6.4215 6.422 0.000 (0;000) ✗ 05/01/17
KBrF4 COD 2310667 I4/mcm (140) ✔ 12 88 1 0.0 0.016 0.097 (0;000) ✗ 02/02/17
BaF2 COD 9009004 Fm-3m (225) ✔ 3 24 1 6.7708 6.829 0.000 (0;000) ✗ 05/01/17
CuSe3Br COD 1524480 Pmna (53) ✔ 20 144 3 0.8867 1.006 0.000 (0;000) ✗ 02/02/17
CuBr COD 9013934 Pa3 (205) ✔ 16 144 3 0.2961 0.296 0.000 (0;000) ✗ 02/02/17
CsBrO4 COD 4031454 I4_1/amd (141) ✔ 12 80 1 3.8217 3.822 0.000 (0;000) ✗ 02/02/17
RbBSe3 COD 1511307 P2_1/c (14) ✔ 20 120 1 1.6861 1.918 0.000 (0;000) ✗ 02/02/17
K2SeBr6 COD 1010627 Fm-3m (225) ✔ 9 66 2 1.6082 1.983 0.000 (0;000) ✗ 02/02/17
K2PtBr6 COD 5910135 Fm-3m (225) ✔ 9 70 1 1.0213 1.115 0.000 (0;000) ✗ 02/02/17
Ba(CuSe)2 COD 1521196 I4/mmm (139) ✔ 5 44 2 0.3094 0.309 0.000 (0;000) ✗ 05/01/17
RbPb2Br5 COD 1010211 I4/mcm (140) ✔ 16 144 2 2.4547 2.566 0.000 (0;000) ✗ 02/02/17
Ba(CuO)2 COD 2002215 I4_1/amd (141) ✔ 10 88 3 1.3364 1.336 0.000 (0;000) ✗ 05/01/17
BaCrS2 COD 4321901 Pmmn (59) ✔ 8 72 2 0.0 0.013 0.275 (0;000) ✗ 05/01/17
BaCrF6 COD 1525278 R-3m (166) ✔ 8 66 1 0.0 0.000 0.174 (0;000) ✗ 05/01/17
BaCoS2 COD 1005029 P4/nmm (129) ✔ 8 78 2 0.0 0.000 0.774 (1;000) ✗ 05/01/17
K2ZnBr4 COD 2001701 P2_1/m (11) ✔ 14 116 1 3.6748 3.675 0.000 (0;000) ✗ 02/02/17
K2PdBr4 COD 2106711 P4/mmm (123) ✔ 7 64 1 1.1261 1.126 0.000 (0;000) ✗ 02/02/17
TcBr3 COD 4103825 P6_3/mcm (193) ✔ 8 72 1 0.0 0.000 0.577 (0;000) ✗ 02/02/17
BaHCl COD 9009159 P4/nmm (129) ✔ 6 36 1 3.2871 3.287 0.000 (0;000) ✗ 05/01/17
BaClF COD 1530187 P4/nmm (129) ✔ 6 48 1 5.4116 5.412 0.000 (0;000) ✗ 05/01/17
BaCl2 COD 9009003 Fm-3m (225) ✔ 3 24 1 5.5411 5.596 0.000 (0;000) ✗ 05/01/17
PBr3O COD 2106216 Pnma (62) ✔ 20 128 1 3.3896 3.488 0.000 (0;000) ✗ 02/02/17
BaCdGe COD 1527799 P6_3/mmc (194) ✔ 6 52 2 0.0 0.002 0.190 (1;000) ✗ 05/01/17
RbMnBr3 COD 1532234 P6_3/mmc (194) ✔ 10 90 1 0.0 0.000 0.748 (0;000) ✗ 02/02/17
IrBr3 COD 1527188 C2/m (12) ✔ 8 76 2 1.389 1.433 0.000 (0;000) ✗ 02/02/17
CsPbBr3 COD 4510745 Pnma (62) ✔ 20 176 3 0.6539 0.654 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
BaCa(FeO2)4 COD 1008057 P-31m (162) ✔ 14 100 2 0.0 0.000 0.787 (0;001) ✗ 05/01/17
PbBr2 COD 9009196 Pnma (62) ✔ 12 112 2 2.537 2.640 0.000 (0;000) ✗ 02/02/17
BaHBr COD 9009158 P4/nmm (129) ✔ 6 36 1 3.4293 3.429 0.000 (0;000) ✗ 05/01/17
BaBrF COD 9011174 P4/nmm (129) ✔ 6 48 1 4.6989 4.699 0.000 (0;000) ✗ 05/01/17
BaCuBi COD 1527798 P6_3/mmc (194) ✔ 6 72 2 0.0 0.003 0.179 (1;000) ✗ 05/01/17
Ba(MgBi)2 COD 7221204 P-3m1 (164) ✔ 5 60 2 0.0 0.010 0.011 (0;000) ✗ 05/01/17
NbBRu COD 4002175 Pmma (51) ✔ 18 192 3 0.0 0.003 0.685 (0;110) ✗ 02/02/17
Ba3SnO COD 1525465 Pm-3m (221) ✔ 5 50 1 0.0 0.005 0.098 (1;000) ✗ 05/01/17
Ba3PbO COD 1525464 Pm-3m (221) ✔ 5 50 1 0.0 0.013 0.080 (0;000) ✗ 05/01/17