≤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
CaCO3 ICSD 186773 P-1 (2) ✔ 10 64 1 3.8372 3.837 0.000 (0;000) ✗ 27/01/17
Sr2C(NCl)2 ICSD 391257 C2/m (12) ✔ 7 48 1 4.3237 4.743 0.000 (0;000) ✗ 27/01/17
CNCl COD 2310595 Pmmn (59) ✔ 6 32 1 5.9059 6.068 0.000 (0;000) ✗ 27/01/17
CaAg ICSD 57352 Ccmm (63) ✔ 4 42 1 0.0 0.000 0.621 (0;110) ✗ 06/10/16
K2CN2 ICSD 411094 C2/m (12) ✔ 5 32 1 3.3274 3.327 0.000 (0;000) ✗ 27/01/17
K2CO3 ICSD 52535 P6_3/mmc (194) ✔ 12 80 1 3.3215 3.322 0.000 (0;000) ✗ 27/01/17
K2CO3 ICSD 662 C2/c (15) ✔ 12 80 1 3.5203 3.520 0.000 (0;000) ✗ 27/01/17
CsHF2 ICSD 45858 I4/mcm (140) ✔ 8 48 1 6.638 6.638 0.000 (0;000) ✗ 27/01/17
FeH4(ClO)2 COD 9012466 C2/m (12) ✔ 9 38 1 0.275 0.342 0.000 (0;000) ✗ 27/01/17
NaClO4 COD 1010214 Cmcm (63) ✔ 12 80 1 3.4632 3.634 0.000 (0;000) ✗ 27/01/17
NaCl COD 9006385 Fm-3m (225) ✔ 2 16 1 4.7748 4.775 0.000 (0;000) ✗ 27/01/17
Na2CN2 ICSD 411341 C2/m (12) ✔ 5 32 1 3.074 3.258 0.000 (0;000) ✗ 27/01/17
SrZn ICSD 54980 Pmnb (62) ✔ 8 88 1 0.0 0.008 0.518 (1;000) ✗ 06/10/16
Cd(NCl)2 COD 9016251 Cmmm (65) ✔ 5 36 1 0.0 0.007 0.674 (0;111) ✗ 27/01/17
NaSnP ICSD 409010 P6_3mc (186) ✗ 6 56 1 0.5734 1.173 0.000 (0;000) ✗ 06/10/16
NaSrP ICSD 416887 P-62m (189) ✗ 9 72 1 1.3102 1.310 0.000 (0;000) ✗ 06/10/16
BaN2 ICSD 280681 C2/c (15) ✔ 6 40 1 0.0 0.007 0.652 (0;000) ✔ 06/10/16
Ag2S ICSD 98452 P2_1/m (11) ✔ 6 56 1 0.0 0.020 0.267 (1;001) ✗ 06/10/16
NaVS2 ICSD 644994 R3m (160) ✗ 4 34 1 0.0 0.004 0.353 (1;000) ✔ 06/10/16
O2 ICSD 37059 Fmmm (69) ✔ 2 12 1 0.0 0.030 0.606 (0;000) ✗ 27/01/17
Na2NiO2 ICSD 14159 Cmc2_1 (36) ✗ 10 80 1 0.9652 1.341 0.000 (0;000) ✗ 06/10/16
Na2SiO3 ICSD 15388 Cmc2_1 (36) ✗ 12 80 1 4.0781 4.370 0.000 (0;000) ✗ 06/10/16
Na2SiO3 ICSD 24664 Ccm2_1 (36) ✗ 12 80 1 4.1761 4.502 0.000 (0;000) ✗ 06/10/16
Na2SiO3 ICSD 74640 Ccm2_1 (36) ✗ 12 80 1 4.2212 4.540 0.000 (0;000) ✗ 06/10/16
Na2PdS2 ICSD 76533 Cmc2_1 (36) ✗ 10 80 1 0.9578 1.378 0.000 (0;000) ✗ 06/10/16
Na2PdSe2 ICSD 644936 Cmc2_1 (36) ✗ 10 80 1 0.7075 1.180 0.000 (0;000) ✗ 06/10/16
Na2PtS2 ICSD 87219 Cmc2_1 (36) ✗ 10 80 1 1.1175 1.485 0.000 (0;000) ✗ 06/10/16
Na2PtSe2 ICSD 40429 Cmc2_1 (36) ✗ 10 80 1 0.8836 1.266 0.000 (0;000) ✗ 06/10/16
KCdSb ICSD 620064 P4/nmm (129) ✔ 6 52 1 0.0 0.022 0.014 (0;000) ✗ 27/01/17
Na3SbS4 ICSD 44707 I-43m (217) ✗ 8 56 1 2.1628 2.190 0.000 (0;000) ✗ 06/10/16
Na3SbSe4 ICSD 65141 I-43m (217) ✗ 8 56 1 1.1474 1.148 0.000 (0;000) ✗ 06/10/16
BaS2 ICSD 2004 C2/c (15) ✔ 6 44 1 1.5522 1.591 0.000 (0;000) ✗ 06/10/16
K2AgAs ICSD 1154 C222_1 (20) ✗ 8 68 1 1.1805 1.308 0.000 (0;000) ✗ 06/10/16
Na2AgAs ICSD 49007 C222_1 (20) ✗ 8 68 1 0.6852 0.685 0.000 (0;000) ✗ 06/10/16
BaS3 ICSD 23637 P-42_1m (113) ✗ 8 56 1 1.3893 1.418 0.000 (0;000) ✗ 06/10/16
CdS ICSD 60570 Pmmn (59) ✔ 4 36 1 0.0 0.040 0.074 (1;000) ✗ 27/01/17
SrCd COD 2310286 Pm-3m (221) ✔ 2 22 1 0.0 0.000 0.565 (1;000) ✗ 27/01/17
K2AgBi ICSD 1156 C222_1 (20) ✗ 8 68 1 0.6946 0.866 0.000 (0;000) ✗ 06/10/16
CF4 ICSD 65786 C2/c (15) ✔ 10 64 1 9.3762 9.446 0.000 (0;000) ✗ 27/01/17
BaSe2 ICSD 16358 C2/c (15) ✔ 6 44 1 1.009 1.076 0.000 (0;000) ✗ 06/10/16
BaSe3 ICSD 16359 P-42_1m (113) ✗ 8 56 1 0.9646 1.065 0.000 (0;000) ✗ 06/10/16
KAgO ICSD 25744 I-4 (82) ✗ 12 104 1 1.4553 1.701 0.000 (0;000) ✗ 06/10/16
Sr4S3O ICSD 165967 Pm-3m (221) ✔ 8 64 1 2.1198 2.120 0.000 (0;000) ✗ 06/10/16
Sr2SO ICSD 165968 P4/mmm (123) ✔ 4 32 1 2.1939 2.194 0.000 (0;000) ✗ 06/10/16
Sr4SO3 ICSD 165969 Pm-3m (221) ✔ 8 64 1 2.6881 2.688 0.000 (0;000) ✗ 06/10/16
K2AgSb ICSD 1155 C222_1 (20) ✗ 8 68 1 1.1247 1.333 0.000 (0;000) ✗ 06/10/16
CaH2CClO3 ICSD 95291 C2/m (12) ✔ 16 82 1 3.5109 3.606 0.000 (0;000) ✗ 27/01/17
H5CBrN COD 2227485 C2/m (12) ✔ 16 42 1 4.616 4.657 0.000 (0;000) ✗ 27/01/17
KHCO2 ICSD 151294 Cmcm (63) ✔ 10 52 1 4.6463 4.660 0.000 (0;000) ✗ 27/01/17
Pb ICSD 105159 P6_3/mmc (194) ✔ 10 140 1 0.0 0.536 0.083 (0;000) ✗ 02/02/17
KHCO3 COD 9010242 P-1 (2) ✔ 12 64 1 5.7378 5.871 0.000 (0;000) ✗ 27/01/17
Sr2FeH6 ICSD 632211 Fm-3m (225) ✔ 9 34 1 1.1713 1.247 0.000 (0;000) ✗ 27/01/17
NaHCO2 ICSD 151320 C2/c (15) ✔ 10 52 1 4.7608 4.824 0.000 (0;000) ✗ 27/01/17
BaTe3 ICSD 36366 P-42_1m (113) ✗ 8 56 1 0.719 0.730 0.000 (0;000) ✗ 06/10/16
AsI3 ICSD 23003 R-3 (148) ✔ 8 52 1 1.9506 2.019 0.000 (0;000) ✗ 06/10/16
O2 ICSD 92775 Cmcm (63) ✔ 2 12 1 0.0 0.025 0.339 (0;000) ✗ 27/01/17
TaTl3S4 ICSD 16571 I-43m (217) ✗ 8 76 1 1.8689 2.059 0.000 (0;000) ✗ 06/10/16
TaTl3S4 ICSD 600247 I-43m (217) ✗ 8 76 1 1.8678 2.058 0.000 (0;000) ✗ 06/10/16
KFeS2 COD 1008340 C2/c (15) ✔ 8 58 1 0.0 0.000 0.278 (1;101) ✗ 27/01/17
Li2FeS2 ICSD 632443 P-3m1 (164) ✔ 5 26 1 0.2773 0.277 0.000 (0;000) ✗ 27/01/17
TaTl3S4 ICSD 651107 I-43m (217) ✗ 8 76 1 1.8644 2.054 0.000 (0;000) ✗ 06/10/16
Li4FeN2 ICSD 68700 Immm (71) ✔ 7 30 1 0.0 0.061 0.130 (0;000) ✗ 27/01/17
TlF ICSD 16112 Pma2 (28) ✗ 8 80 2 1.4283 1.431 0.000 (0;000) ✗ 06/10/16
LiFeP COD 9008322 P4/nmm (129) ✔ 6 32 2 0.0 0.011 0.513 (1;001) ✗ 27/01/17
AlPS4 ICSD 428184 P-42c (112) ✗ 12 64 2 2.6819 2.883 0.000 (0;000) ✗ 07/10/16
AuN2 ICSD 166465 Pmnn (58) ✔ 6 42 2 0.0 0.000 0.791 (0;101) ✗ 06/10/16
AlPS4 ICSD 15910 P222 (16) ✗ 12 64 2 1.5836 1.670 0.000 (0;000) ✗ 06/10/16
Ca(BC)2 ICSD 166515 P4_2/mmc (131) ✔ 10 48 2 0.0 0.003 0.249 (1;000) ✗ 27/01/17
CaZnSe2 ICSD 167832 P-4m2 (115) ✗ 4 34 2 1.3984 1.570 0.000 (0;000) ✗ 07/10/16
AlCl3 ICSD 39566 C2/m (12) ✔ 8 48 2 5.243 5.321 0.000 (0;000) ✗ 05/01/17
Al2FeS4 ICSD 607619 R3m (160) ✗ 7 38 2 0.1679 0.212 0.000 (0;000) ✔ 06/10/16
Mg(AlS2)2 ICSD 608441 R3m (160) ✗ 7 40 2 1.4592 1.613 0.000 (0;000) ✗ 06/10/16
Mg(AlSe2)2 ICSD 41926 R3m (160) ✗ 7 40 2 0.5255 0.526 0.000 (0;000) ✗ 06/10/16
KMnTe2 ICSD 87983 I-4m2 (119) ✗ 4 36 2 0.0 0.002 0.598 (1;110) ✔ 07/10/16
Al2ZnS4 ICSD 609280 R3m (160) ✗ 7 42 2 0.0 0.304 0.367 (0;000) ✔ 06/10/16
FeSe ICSD 633480 P4/nmm (129) ✔ 4 28 2 0.0 0.029 0.437 (0;000) ✗ 27/01/17
RbMnSe2 ICSD 50819 I-4m2 (119) ✗ 4 36 2 0.0 0.003 0.529 (1;100) ✔ 07/10/16
RbMnTe2 ICSD 87984 I-4m2 (119) ✗ 4 36 2 0.0 0.003 0.593 (1;010) ✔ 07/10/16
LiB ICSD 236961 Pbmm (51) ✔ 8 24 2 0.0 0.004 0.395 (0;001) ✗ 06/10/16
FeO2 COD 9015156 Cmcm (63) ✔ 6 40 2 0.0 0.022 0.728 (0;000) ✗ 27/01/17
CoBiO3 ICSD 247466 P4mm (99) ✗ 5 50 2 0.0 0.014 0.494 (1;000) ✔ 29/11/16
SrFeO2 COD 4124111 P4/mmm (123) ✔ 4 30 2 0.0 0.013 0.678 (0;000) ✗ 27/01/17
GaN ICSD 159250 P6_3mc (186) ✗ 4 36 2 0.0 0.015 0.236 (1;000) ✔ 06/10/16
NaAlO2 ICSD 22216 R-3m (166) ✔ 4 24 2 4.9533 5.037 0.000 (0;000) ✗ 05/01/17
LiAlO2 COD 9009880 R-3m (166) ✔ 4 18 2 6.4953 6.634 0.000 (0;000) ✗ 05/01/17
MgB2 COD 1526507 P6/mmm (191) ✔ 3 16 2 0.0 0.000 0.642 (0;001) ✗ 05/01/17
Cd(HO)2 ICSD 165224 P-3m1 (164) ✔ 5 26 2 2.0673 2.296 0.000 (0;000) ✗ 27/01/17
BaF2 ICSD 41651 P6_3/mmc (194) ✔ 6 48 2 5.7976 6.002 0.000 (0;000) ✗ 05/01/17
Sr2FeO4 ICSD 74421 I4/mmm (139) ✔ 7 52 2 0.0 0.003 0.768 (0;000) ✗ 27/01/17
KZnAs ICSD 43985 P-6m2 (187) ✗ 3 26 2 0.2099 0.326 0.000 (0;000) ✔ 06/10/16
BN ICSD 186248 P6_3/mmc (194) ✔ 4 16 2 3.5701 3.601 0.000 (0;000) ✗ 27/01/17
BiBr3 ICSD 100294 C2/m (12) ✔ 8 72 2 2.0254 2.057 0.000 (0;000) ✗ 06/10/16
BN COD 1010331 P6/mmm (191) ✔ 4 16 2 0.0 0.000 0.351 (0;000) ✗ 27/01/17
BN COD 2016173 P6_3/mmc (194) ✔ 4 16 2 4.1848 4.579 0.000 (0;000) ✗ 27/01/17
BaO2 ICSD 180398 Cmmm (65) ✔ 3 22 2 0.6441 1.164 0.000 (0;000) ✗ 05/01/17
GaSe ICSD 601159 P-6m2 (187) ✗ 8 76 2 1.0062 1.006 0.000 (0;000) ✗ 06/10/16
GaSe ICSD 73388 R3m (160) ✗ 4 38 2 1.036 1.036 0.000 (0;000) ✗ 06/10/16
C COD 1100003 R-3m (166) ✔ 2 8 2 0.0479 0.048 0.000 (0;111) ✗ 27/01/17
Tl3AsS3 ICSD 611332 R3m (160) ✗ 7 62 2 0.0 0.329 0.096 (0;000) ✔ 06/10/16
C COD 9000046 Fmmm (69) ✔ 2 8 2 0.0 0.005 0.011 (0;110) ✗ 27/01/17