≤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
PbIBr ICSD 22138 Pnma (62) ✔ 12 112 1 1.7861 1.908 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
BaCa(CO3)2 COD 9013465 P2_1/m (11) ✔ 20 128 1 4.8058 4.848 0.000 (0;000) ✗ 02/02/17
LiBC2(O2F)2 ICSD 185384 Cmcm (63) ✔ 20 104 1 3.7651 3.918 0.000 (0;000) ✗ 02/02/17
CsRbC2 ICSD 189823 Pnma (62) ✔ 16 104 1 2.8694 3.018 0.000 (0;000) ✗ 02/02/17
BaH2C2O5 ICSD 151115 C2/m (12) ✔ 20 100 1 3.1951 3.297 0.000 (0;000) ✗ 02/02/17
CdH6C2I2(NO)2 ICSD 192774 P-1 (2) ✔ 15 62 1 2.8954 2.929 0.000 (0;000) ✗ 02/02/17
C2SeN2 ICSD 173995 Cmce (64) ✔ 20 96 1 0.0 0.137 0.007 (0;000) ✗ 02/02/17
RuC3Br2O3 ICSD 48158 C2/m (12) ✔ 18 120 1 2.0975 2.155 0.000 (0;000) ✗ 02/02/17
CsC3(SeN)3 ICSD 4101 C2/c (15) ✔ 20 108 1 1.9235 2.016 0.000 (0;000) ✗ 02/02/17
OsC3I2O3 ICSD 68901 C2/m (12) ✔ 18 120 1 1.7617 1.846 0.000 (0;000) ✗ 02/02/17
CsB(CN)4 COD 4308582 I4_1/a (88) ✔ 20 96 1 6.6641 6.715 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
H4C4SO COD 2010884 P-1 (2) ✔ 20 64 1 1.3594 1.421 0.000 (0;000) ✗ 02/02/17
Ca2FeCuSeO3 ICSD 169993 P4/nmm (129) ✔ 16 126 1 0.0 0.000 0.835 (1;001) ✗ 02/02/17
Ca2In ICSD 413803 Pnma (62) ✔ 12 132 1 0.0 0.001 0.486 (0;011) ✗ 02/02/17
Ca2Sn ICSD 58935 Pnma (62) ✔ 12 136 1 0.1234 0.126 0.000 (0;000) ✗ 02/02/17
Ca3MnN3 ICSD 67888 Cmcm (63) ✔ 14 120 1 0.0 0.012 0.594 (0;000) ✗ 02/02/17
Ca3ReO6 ICSD 84791 P2_1/c (14) ✔ 20 162 1 0.0 0.000 0.860 (0;101) ✗ 02/02/17
Ca5CuPb3 ICSD 240159 P-3c1 (165) ✔ 18 206 1 0.0 0.000 0.617 (1;000) ✗ 02/02/17
Ca5Sn3H ICSD 165190 I4/mcm (140) ✔ 18 186 1 0.0 0.001 0.470 (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
CaCl2 ICSD 56769 Pbcn (60) ✔ 12 96 1 5.5921 5.702 0.000 (0;000) ✗ 02/02/17
CsCaH3 ICSD 619213 Pnma (62) ✔ 20 88 1 2.0624 2.062 0.000 (0;000) ✗ 02/02/17
Ca(GaS2)2 ICSD 619292 Cccm (66) ✔ 14 120 1 2.6848 2.831 0.000 (0;000) ✗ 02/02/17
CaGaSn ICSD 619297 P6_3/mmc (194) ✔ 12 148 1 0.0 0.026 0.626 (1;000) ✗ 02/02/17
CaIn ICSD 414231 I4/mmm (139) ✔ 8 92 1 0.0 0.000 0.494 (0;111) ✗ 02/02/17
Li2Ca COD 1527864 P6_3/mmc (194) ✔ 12 64 1 0.0 0.001 0.548 (1;000) ✗ 02/02/17
CaMg2 COD 4313238 P6_3/mmc (194) ✔ 12 120 1 0.0 0.001 0.548 (1;000) ✗ 02/02/17
Sr2CaTeO6 ICSD 414435 P2_1/c (14) ✔ 20 144 1 3.6612 3.716 0.000 (0;000) ✗ 02/02/17
SrCaPb COD 1528700 Pnma (62) ✔ 12 136 1 0.1438 0.163 0.000 (0;000) ✗ 02/02/17
RbCaSb ICSD 409178 P4/nmm (129) ✔ 6 48 1 1.5422 1.607 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
CaCO3 ICSD 186772 P-1 (2) ✔ 20 128 1 3.6119 3.614 0.000 (0;000) ✗ 02/02/17
CaCO3 COD 9016600 Pnma (62) ✔ 20 128 1 3.8664 3.866 0.000 (0;000) ✗ 02/02/17
Na2CdCl4 ICSD 69344 Pbam (55) ✔ 14 116 1 3.5843 3.600 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 20745 P-3m1 (164) ✔ 9 78 1 1.9108 2.098 0.000 (0;000) ✗ 02/02/17
CdI2 ICSD 42312 P-3m1 (164) ✔ 18 156 1 1.9865 2.173 0.000 (0;000) ✗ 02/02/17
K2CdN12 ICSD 31297 C2/m (12) ✔ 15 90 1 2.9481 2.992 0.000 (0;000) ✗ 02/02/17
Na2CdSn COD 7221227 P6_3/mmc (194) ✔ 8 88 1 0.0 0.037 0.109 (0;000) ✗ 02/02/17
CIF2 COD 7200677 P2_1/c (14) ✔ 16 100 1 3.1528 3.212 0.000 (0;000) ✗ 02/02/17
K3CO3F ICSD 66028 R-3c (167) ✔ 16 112 1 3.9679 3.968 0.000 (0;000) ✗ 02/02/17
BH2CO ICSD 9561 C2/c (15) ✔ 20 60 1 1.1303 1.130 0.000 (0;000) ✗ 02/02/17
NaH3CN4O ICSD 15874 Pmma (51) ✔ 20 84 1 4.9832 4.985 0.000 (0;000) ✗ 02/02/17
HCO2 COD 5900034 P2_1/c (14) ✔ 16 68 1 0.0 0.011 0.058 (1;010) ✗ 02/02/17
HC COD 2100841 Pa3 (205) ✔ 16 40 1 5.684 5.704 0.000 (0;000) ✗ 02/02/17
KCO3 COD 9010292 P2_1/c (14) ✔ 20 124 1 0.4508 0.493 0.000 (0;000) ✗ 02/02/17
K4Re2Cl10O ICSD 108904 I4/mmm (139) ✔ 17 142 1 0.0 0.168 0.479 (0;000) ✗ 02/02/17
CsLiCl2 ICSD 423634 C2/c (15) ✔ 16 104 1 5.3881 5.388 0.000 (0;000) ✗ 02/02/17
PCl2OF ICSD 416167 P2_1/c (14) ✔ 20 128 1 5.5247 5.615 0.000 (0;000) ✗ 02/02/17
K2PdN2(ClO2)2 ICSD 39851 C2/m (12) ✔ 11 84 1 0.0 0.069 0.131 (0;000) ✗ 02/02/17
Mg(ClO3)2 COD 9014683 C2/m (12) ✔ 9 60 1 0.0 0.007 0.584 (0;000) ✗ 02/02/17
Ru(N3Cl)2 COD 9014997 Fm-3m (225) ✔ 9 60 1 0.0 0.001 0.452 (0;000) ✗ 02/02/17
Sr(ClO)2 COD 9008002 Ccce (68) ✔ 20 144 1 0.0 0.010 0.435 (0;110) ✗ 02/02/17
Cl2O ICSD 407768 I4_1/amd (141) ✔ 12 80 1 1.1441 1.193 0.000 (0;000) ✗ 02/02/17
Pd(Se3Cl)2 ICSD 405207 P2_1/c (14) ✔ 18 136 1 1.0887 1.107 0.000 (0;000) ✗ 02/02/17
TlCoCl3 ICSD 155189 P6_3/mmc (194) ✔ 10 102 1 0.0 0.000 0.592 (0;000) ✗ 02/02/17
CsCu2Cl3 COD 2310349 Cmcm (63) ✔ 12 104 1 1.8641 1.864 0.000 (0;000) ✗ 02/02/17
CsScCl3 COD 4343633 P6_3/mmc (194) ✔ 10 82 1 0.0 0.000 0.596 (0;000) ✗ 02/02/17
CsVCl3 COD 1527869 P6_3/mmc (194) ✔ 10 86 1 0.0 0.000 0.717 (0;000) ✗ 02/02/17
SiCl2O COD 7028093 P-1 (2) ✔ 16 96 1 5.8349 5.921 0.000 (0;000) ✗ 02/02/17
ICl3 COD 4336764 P-1 (2) ✔ 8 56 1 1.572 1.573 0.000 (0;000) ✗ 02/02/17
MoSeCl3 COD 4002056 C2/c (15) ✔ 20 164 1 0.0 0.005 0.471 (1;110) ✗ 02/02/17
PCl3 ICSD 27798 Pnma (62) ✔ 16 104 1 3.8453 3.871 0.000 (0;000) ✗ 02/02/17
SbCl3 ICSD 8258 Pnma (62) ✔ 16 104 1 3.5764 3.619 0.000 (0;000) ✗ 02/02/17
ZrCl3 ICSD 43292 P-31m (162) ✔ 8 50 1 0.0 0.160 0.200 (0;000) ✗ 02/02/17
Na2CrCl4 ICSD 66201 P2_1/c (14) ✔ 14 120 1 0.0 0.020 0.493 (0;000) ✗ 02/02/17
Cs2Pd(ICl2)2 ICSD 240484 I4/mmm (139) ✔ 9 78 1 0.0 0.031 0.268 (1;111) ✗ 02/02/17
Cs2PtCl4 COD 9009288 Cmcm (63) ✔ 14 112 1 1.8445 1.845 0.000 (0;000) ✗ 02/02/17
GeCl4 COD 2012797 P2_1/c (14) ✔ 20 128 1 4.342 4.405 0.000 (0;000) ✗ 02/02/17
HfCl4 ICSD 402054 P2/c (13) ✔ 10 80 1 4.0299 4.070 0.000 (0;000) ✗ 02/02/17
Na2MgCl4 ICSD 69343 Pbam (55) ✔ 14 112 1 4.8587 4.859 0.000 (0;000) ✗ 02/02/17
Pd(NCl2)2 COD 9015430 P4/mmm (123) ✔ 7 56 1 0.0 0.001 0.522 (0;000) ✗ 02/02/17
VNCl4 ICSD 28128 P-1 (2) ✔ 12 92 1 1.1219 1.234 0.000 (0;000) ✗ 02/02/17
ReCl4 COD 4123951 P2/c (13) ✔ 20 172 1 0.0 0.032 0.088 (0;000) ✗ 02/02/17
ZrCl4 ICSD 26049 P2/c (13) ✔ 10 64 1 3.4913 3.573 0.000 (0;000) ✗ 02/02/17
Cs3MnCl5 ICSD 24 I4/mcm (140) ✔ 18 154 1 0.0 0.000 0.337 (1;111) ✗ 02/02/17
MoCl5 COD 2101942 P-1 (2) ✔ 12 98 1 0.0 0.004 0.377 (1;111) ✗ 02/02/17
Cs2MoCl6 COD 8102884 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.190 (0;000) ✗ 02/02/17
Cs2PtCl6 COD 1010238 Fm-3m (225) ✔ 9 70 1 1.745 1.745 0.000 (0;000) ✗ 02/02/17
Cs2TiCl6 COD 1010219 Fm-3m (225) ✔ 9 72 1 2.2724 2.314 0.000 (0;000) ✗ 02/02/17
CsWCl6 COD 1527332 C2/c (15) ✔ 16 130 1 0.0 0.002 0.475 (1;010) ✗ 02/02/17
SnH8(NCl3)2 ICSD 9021 Fm-3m (225) ✔ 17 74 1 2.697 2.697 0.000 (0;000) ✗ 02/02/17
Na3InCl6 ICSD 154092 P-31c (163) ✔ 20 164 1 4.0782 4.095 0.000 (0;000) ✗ 02/02/17
K2PtCl6 COD 2105522 Fm-3m (225) ✔ 9 70 1 1.611 1.611 0.000 (0;000) ✗ 02/02/17
K2SnCl6 COD 2106487 P4/mnc (128) ✔ 18 148 1 2.7117 2.712 0.000 (0;000) ✗ 02/02/17
Na3ScCl6 ICSD 166749 P2_1/c (14) ✔ 20 160 1 4.0856 4.103 0.000 (0;000) ✗ 02/02/17
NaSbCl6 ICSD 36517 P4_2/m (84) ✔ 16 112 1 2.3564 2.356 0.000 (0;000) ✗ 02/02/17
Rb2PdCl6 COD 1010889 Fm-3m (225) ✔ 9 78 1 0.9163 0.957 0.000 (0;000) ✗ 02/02/17
Rb2PtCl6 COD 1010237 Fm-3m (225) ✔ 9 70 1 1.7119 1.712 0.000 (0;000) ✗ 02/02/17
Rb2SnCl6 COD 1010175 Fm-3m (225) ✔ 9 74 1 2.7072 2.707 0.000 (0;000) ✗ 02/02/17
Rb2WCl6 COD 8100738 Fm-3m (225) ✔ 9 74 1 0.0 0.000 0.352 (0;000) ✗ 02/02/17
Rb2Hg2PdCl8 ICSD 203187 C2/m (12) ✔ 13 116 1 1.737 1.763 0.000 (0;000) ✗ 02/02/17
Sr2CoClO3 ICSD 91750 P4/nmm (129) ✔ 14 124 1 0.0 0.018 0.197 (0;001) ✗ 02/02/17
ReNClF5 ICSD 33542 P2_1/m (11) ✔ 16 124 1 1.9084 1.916 0.000 (0;000) ✗ 02/02/17
Na6S2ClO8F ICSD 52291 Fm-3m (225) ✔ 18 128 1 4.8534 4.856 0.000 (0;000) ✗ 02/02/17
ICl ICSD 23886 P2_1/c (14) ✔ 16 112 1 1.283 1.441 0.000 (0;000) ✗ 02/02/17
ICl COD 9008992 P2_1/c (14) ✔ 16 112 1 1.6268 1.696 0.000 (0;000) ✗ 02/02/17
KClO3 COD 2310654 Pnma (62) ✔ 20 136 1 3.1985 3.200 0.000 (0;000) ✗ 02/02/17
SeCl ICSD 37018 P2_1/c (14) ✔ 16 104 1 2.1612 2.199 0.000 (0;000) ✗ 02/02/17