≤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
CaSO4 COD 5000040 Cmcm (63) ✔ 12 80 1 6.2076 6.694 0.000 (0;000) ✗ 27/01/17
H3C4O5 COD 5000188 Cc (9) ✗ 24 98 1 4.4946 0.001 1.000 (0;000) ✗ 04/08/17
H3C2N COD 5000306 P-1 (2) ✔ 24 64 1 3.0551 3.102 0.000 (0;000) ✗ 04/08/17
HCI3 COD 5900001 P6_3 (173) ✗ 10 52 1 1.6658 1.794 0.000 (0;000) ✗ 22/03/17
Be(H3C)2 COD 5900008 Ibam (72) ✔ 18 36 1 4.8496 4.850 0.000 (0;000) ✗ 27/01/17
I COD 5900010 P2_1/c (14) ✔ 16 112 1 0.0 0.007 0.889 (1;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
Fe3C COD 5910001 P-1 (2) ✔ 16 112 3 0.0 0.012 0.187 (1;011) ✗ 04/08/17
ZrS2 COD 5910006 P-3m1 (164) ✔ 3 16 2 0.535 1.254 0.000 (0;000) ✗ 27/01/17
ZrI3 COD 5910008 P6_3/mcm (193) ✔ 8 50 1 0.0 0.000 0.593 (0;000) ✗ 02/02/17
SrB6 COD 5910016 Pm-3m (221) ✔ 7 28 3 0.1634 0.163 0.000 (0;000) ✗ 05/01/17
KTaO3 COD 5910018 Pm-3m (221) ✔ 5 40 3 2.0924 2.703 0.000 (0;000) ✗ 27/01/17
AgIO2 COD 5910025 I4_1/a (88) ✔ 16 120 3 0.0 0.016 0.429 (1;111) ✗ 16/03/17
ZrSe2 COD 5910026 P-3m1 (164) ✔ 3 16 2 0.0 0.498 0.154 (0;000) ✗ 27/01/17
MgCO6 COD 5910029 R-3m (166) ✔ 8 50 3 0.0 0.017 0.392 (0;000) ✗ 27/01/17
KNiF3 COD 5910032 Pm-3m (221) ✔ 5 40 3 0.0 0.000 0.596 (0;000) ✗ 27/01/17
Ag3Hg4 COD 5910050 Im-3m (229) ✔ 14 162 3 0.0 0.000 0.571 (1;111) ✗ 30/01/17
RbIO3 COD 5910051 Pm-3m (221) ✔ 5 34 3 0.0 0.017 0.103 (1;111) ✗ 30/01/17
PbWO2 COD 5910060 I4_1/a (88) ✔ 16 160 3 0.0 0.057 0.623 (1;111) ✗ 29/03/17
ZnCO6 COD 5910061 R-3m (166) ✔ 8 52 3 0.0 0.006 0.388 (1;111) ✗ 27/01/17
CaSn3 COD 5910066 Pm-3m (221) ✔ 4 52 3 0.0 0.005 0.323 (0;111) ✗ 27/01/17
IrO2 COD 5910069 P4_2/mnm (136) ✔ 6 58 3 0.0 0.000 0.597 (0;000) ✗ 27/01/17
BaWO2 COD 5910071 I4_1/a (88) ✔ 16 144 3 0.0 0.017 0.346 (1;111) ✗ 02/02/17
KZnF3 COD 5910077 Pm-3m (221) ✔ 5 42 3 3.8219 5.649 0.000 (0;000) ✗ 27/01/17
MgZn2 COD 5910078 P6_3/mmc (194) ✔ 12 136 3 0.0 0.003 0.511 (1;000) ✗ 27/01/17
MnAlCu2 COD 5910083 Fm-3m (225) ✔ 4 40 3 0.0 0.031 0.192 (1;000) ✗ 05/01/17
PtS2 COD 5910085 P-3m1 (164) ✔ 3 22 2 0.4919 1.185 0.000 (0;000) ✗ 27/01/17
RhS2 COD 5910087 Pa3 (205) ✔ 12 116 3 0.0 0.000 0.689 (1;111) ✗ 27/01/17
InBO6 COD 5910089 R-3m (166) ✔ 8 52 3 0.0 0.007 0.415 (0;000) ✗ 05/01/17
TiC COD 5910091 Fm-3m (225) ✔ 2 16 3 0.0 0.013 0.215 (0;000) ✗ 27/01/17
BaMoO2 COD 5910093 I4_1/a (88) ✔ 16 144 3 0.0 0.021 0.336 (1;111) ✗ 21/03/17
BaCa(CO3)2 COD 5910095 P2_1 (4) ✗ 20 128 1 2.2809 2.293 0.000 (0;000) ✗ 21/03/17
CaPb3 COD 5910096 Pm-3m (221) ✔ 4 52 3 0.0 0.000 0.455 (0;111) ✗ 27/01/17
MoCl3 COD 5910110 C2/m (12) ✔ 8 70 2 0.0 0.038 0.023 (0;000) ✗ 27/01/17
Cd3As2 COD 5910128 Pnnn (48) ✔ 10 92 3 0.0 0.004 0.387 (0;000) ✗ 05/01/17
SrMoO2 COD 5910131 I4_1/a (88) ✔ 16 144 3 0.0 0.002 0.348 (1;111) ✗ 29/03/17
K2PtBr6 COD 5910135 Fm-3m (225) ✔ 9 70 1 1.0213 1.115 0.000 (0;000) ✗ 02/02/17
CaZrO3 COD 5910140 Pm-3m (221) ✔ 5 32 3 2.8438 2.844 0.000 (0;000) ✗ 27/01/17
Te2Os COD 5910143 Pa3 (205) ✔ 12 112 3 0.724 0.875 0.000 (0;000) ✗ 02/02/17
Ag2Te COD 5910144 P2_1/c (14) ✔ 12 112 3 0.0803 0.080 0.000 (1;000) ✗ 30/01/17
SiO2 COD 5910147 P6_3/mmc (194) ✔ 12 64 3 5.6701 5.670 0.000 (0;000) ✗ 27/01/17
BaTiO3 COD 5910149 Pm-3m (221) ✔ 5 40 3 1.8554 1.915 0.000 (0;000) ✗ 05/01/17
WO2 COD 5910153 Cmmm (65) ✔ 6 52 3 0.0 0.042 0.443 (0;110) ✗ 27/01/17
BaCrO4 COD 5910178 Pnma (62) ✔ 24 192 1 4.1477 4.160 0.000 (0;000) ✗ 04/08/17
CsSb4F13 COD 5910189 I4/m (87) ✔ 18 120 3 2.4393 2.443 0.000 (0;000) ✗ 22/03/17
PbSeO4 COD 5910191 Pnma (62) ✔ 24 176 3 3.3813 3.511 0.000 (0;000) ✗ 04/08/17
RbSb4F13 COD 5910267 I4/m (87) ✔ 18 120 1 2.4717 2.485 0.000 (0;000) ✗ 22/03/17
BePbF4 COD 5910280 Pnma (62) ✔ 24 184 3 4.5631 4.701 0.000 (0;000) ✗ 04/08/17
KSb4F13 COD 5910285 I4/m (87) ✔ 18 120 1 0.0 2.514 1.000 (0;000) ✗ 22/03/17
RbClO4 COD 5910290 Pnma (62) ✔ 24 160 1 3.7097 3.729 0.000 (0;000) ✗ 04/08/17
BaBeF4 COD 5910312 Pnma (62) ✔ 24 168 1 7.8184 7.862 0.000 (0;000) ✗ 04/08/17
TlSb4F13 COD 5910319 I4/m (87) ✔ 18 124 1 2.0098 2.151 0.000 (0;000) ✗ 02/02/17
BaMnO4 COD 5910329 Pnma (62) ✔ 24 196 1 0.0 0.000 0.451 (1;011) ✗ 04/08/17
TlClO4 COD 5910345 Pnma (62) ✔ 24 176 1 3.2528 3.397 0.000 (0;000) ✗ 04/08/17
Ni2Mo3N COD 6000257 P4_132 (213) ✗ 24 268 3 0.0 0.000 0.511 ? ✗ 04/08/17
BaNaH3Pd COD 6000621 P6_3/mmc (194) ✔ 12 80 1 1.5304 1.872 0.000 (0;000) ✗ 05/01/17
BaSn(PO4)2 COD 7001616 C2/m (12) ✔ 12 82 2 4.3034 4.396 0.000 (0;000) ✗ 05/01/17
RbCN5O2 COD 7004730 Cc (9) ✗ 18 100 1 2.8893 2.908 0.000 (0;000) ✗ 22/03/17
S3N2O COD 7005890 Cc (9) ✗ 12 68 1 2.1634 2.250 0.000 (0;000) ✗ 29/03/17
Hg3Se4O5 COD 7005928 P-1 (2) ✔ 24 180 3 1.9543 2.141 0.000 (0;000) ✗ 04/08/17
C2S3 COD 7006523 P2_1/c (14) ✔ 20 104 1 1.647 1.649 0.000 (0;000) ✗ 02/02/17
Zn3Ru COD 7007706 I4/mmm (139) ✔ 8 104 3 0.0 0.006 0.707 (0;111) ✗ 29/03/17
C4S3Cl4 COD 7008813 P-1 (2) ✔ 22 124 1 1.7848 1.895 0.000 (0;000) ✗ 04/08/17
Na2CdSnS4 COD 7011307 C2 (5) ✗ 8 68 3 2.0139 2.014 0.000 (0;000) ✗ 22/03/17
CsAs4F13 COD 7012392 I-4 (82) ✗ 18 120 1 5.3746 5.560 0.000 (0;000) ✗ 21/03/17
ZnH4(CO)4 COD 7012468 C2 (5) ✗ 13 56 3 5.1539 5.377 0.000 (0;000) ✗ 15/02/17
Ca2CrN3 COD 7012864 P-1 (2) ✔ 12 98 1 0.9093 1.042 0.000 (0;000) ✗ 27/01/17
Sr2CrN3 COD 7012865 P-1 (2) ✔ 12 98 1 0.7771 0.921 0.000 (0;000) ✗ 27/01/17
BaAl4Se7 COD 7015593 Pc (7) ✗ 24 128 3 2.4123 2.412 0.000 (0;000) ✗ 04/08/17
Na(GeP)3 COD 7017702 Pmc2_1 (26) ✗ 14 72 2 1.1803 1.490 0.000 (0;000) ✗ 22/03/17
HfTl2Se3 COD 7019864 P2_1/m (11) ✔ 12 112 3 0.4025 0.553 0.000 (0;000) ✗ 02/02/17
ZrTl2S3 COD 7019865 P2_1/m (11) ✔ 12 96 3 0.6608 0.670 0.000 (0;000) ✗ 02/02/17
BiPO4 COD 7023719 P2_1/c (14) ✔ 24 176 1 3.3191 3.364 0.000 (0;000) ✗ 04/08/17
BiPO4 COD 7023720 P2_1/m (11) ✔ 12 88 3 3.4763 3.555 0.000 (0;000) ✗ 05/01/17
Ba2Cd2As3 COD 7024287 C2/m (12) ✔ 14 118 1 0.0 0.032 0.018 (0;000) ✗ 30/01/17
Ba2Cd2Sb3 COD 7024288 C2/m (12) ✔ 14 118 1 0.0 0.020 0.063 (1;110) ✗ 02/02/17
SiCl2O COD 7028092 P-1 (2) ✔ 24 144 1 5.7589 5.834 0.000 (0;000) ✗ 04/08/17
SiCl2O COD 7028093 P-1 (2) ✔ 16 96 1 5.8349 5.921 0.000 (0;000) ✗ 02/02/17
K4ZnBi2 COD 7029492 C222_1 (20) ✗ 14 156 1 0.0439 0.044 0.000 (0;000) ✔ 13/04/17
Ba2Ge4Pd5 COD 7029960 Cmce (64) ✔ 22 252 3 0.0 0.020 0.650 (0;110) ✗ 07/08/17
Te2SO7 COD 7035628 Pmn2_1 (31) ✗ 20 120 3 3.4249 3.454 0.000 (0;000) ✗ 29/03/17
TeO3 COD 7035629 R-3c (167) ✔ 8 48 3 1.4975 1.547 0.000 (0;000) ✗ 27/01/17
CSCl2O COD 7050458 P2_1/c (14) ✔ 20 120 1 3.0161 3.088 0.000 (0;000) ✗ 02/02/17
Rb(CO)3 COD 7051226 C2/m (12) ✔ 14 78 1 1.0399 1.080 0.000 (0;000) ✗ 27/01/17
CuH2C2BrN COD 7052608 P-1 (2) ✔ 14 66 3 0.8149 1.037 0.000 (0;000) ✗ 27/01/17
FeCN2 COD 7054164 P6_3/mmc (194) ✔ 8 44 3 0.0 0.009 0.266 (0;000) ✗ 27/01/17
H2C2O COD 7054714 P-1 (2) ✔ 20 64 1 3.9925 4.100 0.000 (0;000) ✗ 02/02/17
H2C2O COD 7054718 P2_1 (4) ✗ 20 64 1 3.8994 3.899 0.000 (0;000) ✗ 21/03/17
H2C2O COD 7054719 P2_1 (4) ✗ 20 64 1 3.8651 3.865 0.000 (0;000) ✗ 21/03/17
HCO COD 7100673 Pc (7) ✗ 24 88 1 3.0002 3.069 0.000 (0;000) ✗ 04/08/17
H5C3BrN COD 7101076 P-1 (2) ✔ 20 58 1 2.9198 2.977 0.000 (0;000) ✗ 02/02/17
H5C3NCl COD 7101077 P-1 (2) ✔ 20 58 1 3.3502 3.410 0.000 (0;000) ✗ 27/01/17
S COD 7101265 Pm-3m (221) ✔ 1 6 1 0.0 0.000 0.698 (0;000) ✗ 27/01/17
Ge COD 7101739 Fd-3m (227) ✔ 4 16 3 0.0 0.012 0.616 (0;000) ✗ 27/01/17
SO COD 7102430 Fm-3m (225) ✔ 2 12 1 0.0 0.038 0.656 (0;000) ✗ 27/01/17
Al5V2Ge5 COD 7102714 Cmcm (63) ✔ 24 122 3 0.0 0.000 0.921 (0;000) ✗ 04/08/17
SO2 COD 7103014 P3_221 (154) ✗ 9 54 3 0.0 0.013 0.317 (1;100) ✔ 15/02/17
AgH3BrN COD 7103195 P2_1/m (11) ✔ 12 52 2 2.3806 2.588 0.000 (0;000) ✗ 05/01/17
CuH6BrN2 COD 7104068 C2/c (15) ✔ 20 68 1 2.3525 2.353 0.000 (0;000) ✗ 02/02/17
SbN9 COD 7106121 P-1 (2) ✔ 20 100 1 2.5331 2.586 0.000 (0;000) ✗ 02/02/17