▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AuBr | COD | 1510610 | P4_2/ncm (138) | ✔ | 8 | 72 | 2 | 1.7201 | 1.721 | 0.000 | (0;000) | ✗ | 30/01/17 |
AuBrF6 | COD | 1510611 | P2_1 (4) | ✗ | 16 | 120 | 1 | 2.0362 | 2.037 | 0.000 | (0;000) | ✗ | 21/03/17 |
CaGaAu | COD | 1510615 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.039 | 0.506 | (1;000) | ✗ | 30/01/17 |
ScCo3B2 | COD | 1510622 | P6/mmm (191) | ✔ | 6 | 68 | 3 | 0.0 | 0.004 | 0.449 | (0;000) | ✗ | 05/01/17 |
YCo3B2 | COD | 1510628 | P6/mmm (191) | ✔ | 6 | 68 | 3 | 0.0 | 0.001 | 0.504 | (1;001) | ✗ | 05/01/17 |
Ti3Co5B2 | COD | 1510633 | P4/mbm (127) | ✔ | 20 | 254 | 3 | 0.0 | 0.000 | 0.990 | (1;111) | ✗ | 21/03/17 |
Ba(BS2)2 | COD | 1510637 | Cc (9) | ✗ | 14 | 80 | 1 | 2.6688 | 2.785 | 0.000 | (0;000) | ✗ | 21/03/17 |
CrB2 | COD | 1510641 | P6/mmm (191) | ✔ | 3 | 20 | 3 | 0.0 | 0.008 | 0.696 | (0;001) | ✗ | 05/01/17 |
Ba(BSe3)2 | COD | 1510647 | Cmce (64) | ✔ | 18 | 104 | 2 | 1.7291 | 1.739 | 0.000 | (0;000) | ✗ | 02/02/17 |
BF2 | COD | 1510681 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 05/01/17 |
FeB2 | COD | 1510682 | P6/mmm (191) | ✔ | 3 | 14 | 3 | 0.0 | 0.001 | 0.477 | (1;000) | ✗ | 05/01/17 |
Fe(BMo)2 | COD | 1510683 | P4/mbm (127) | ✔ | 10 | 84 | 3 | 0.0 | 0.003 | 0.774 | (0;000) | ✗ | 05/01/17 |
Fe(BW)2 | COD | 1510686 | P4/mbm (127) | ✔ | 10 | 140 | 3 | 0.0 | 0.012 | 0.601 | (1;000) | ✗ | 11/04/17 |
Fe5B2P | COD | 1510698 | I4/mcm (140) | ✔ | 16 | 102 | 3 | 0.0 | 0.001 | 0.760 | (1;000) | ✗ | 05/01/17 |
HfB2 | COD | 1510711 | P6/mmm (191) | ✔ | 3 | 18 | 3 | 0.0 | 0.020 | 0.133 | (0;001) | ✗ | 05/01/17 |
Hf3B2Ir5 | COD | 1510712 | P4/mbm (127) | ✔ | 20 | 254 | 3 | 0.0 | 0.000 | 0.996 | (0;001) | ✗ | 02/02/17 |
B2Mo2Ir | COD | 1510720 | Pnnm (58) | ✔ | 20 | 204 | 3 | 0.0 | 0.003 | 0.624 | (1;000) | ✗ | 02/02/17 |
Y(BIr)2 | COD | 1510721 | Fddd (70) | ✔ | 10 | 102 | 3 | 0.0 | 0.000 | 0.745 | (1;111) | ✗ | 05/01/17 |
Zn(BIr)2 | COD | 1510722 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.063 | 0.027 | (0;111) | ✗ | 05/01/17 |
YB2Ir3 | COD | 1510727 | Cmmm (65) | ✔ | 6 | 68 | 3 | 0.0 | 0.015 | 0.380 | (1;001) | ✗ | 05/01/17 |
K2B2S7 | COD | 1510733 | C2/c (15) | ✔ | 22 | 132 | 2 | 2.594 | 2.718 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2B2Se7 | COD | 1510734 | C2/c (15) | ✔ | 22 | 132 | 2 | 1.7582 | 1.885 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2B2S5 | COD | 1510745 | Cmcm (63) | ✔ | 18 | 84 | 1 | 2.4066 | 2.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2B2Se5 | COD | 1510746 | C2/c (15) | ✔ | 18 | 84 | 3 | 1.7208 | 1.912 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mn(BW)2 | COD | 1510759 | P4/mbm (127) | ✔ | 10 | 98 | 3 | 0.0 | 0.000 | 1.000 | (1;110) | ✗ | 05/01/17 |
B2Mo | COD | 1510763 | P6/mmm (191) | ✔ | 3 | 20 | 3 | 0.0 | 0.003 | 0.667 | (1;000) | ✗ | 05/01/17 |
Ni(BMo)2 | COD | 1510766 | Immm (71) | ✔ | 5 | 44 | 3 | 0.0 | 0.029 | 0.126 | (1;000) | ✗ | 05/01/17 |
SiB2Mo5 | COD | 1510768 | I4/mcm (140) | ✔ | 16 | 160 | 3 | 0.0 | 0.028 | 0.696 | (1;000) | ✗ | 21/03/17 |
Na2B2Se7 | COD | 1510772 | C2/c (15) | ✔ | 22 | 132 | 3 | 1.5748 | 1.694 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ni(BO2)2 | COD | 1510786 | C2/c (15) | ✔ | 14 | 80 | 3 | 0.0 | 0.007 | 0.476 | (1;000) | ✗ | 05/01/17 |
TaNiB2 | COD | 1510787 | Pnma (62) | ✔ | 16 | 116 | 3 | 0.0 | 0.000 | 0.480 | (0;011) | ✗ | 05/01/17 |
B2O3 | COD | 1510796 | P3_121 (152) | ✗ | 15 | 72 | 3 | 6.5637 | 6.789 | 0.000 | (0;000) | ✗ | 15/02/17 |
B2Os | COD | 1510804 | Pmmn (59) | ✔ | 6 | 44 | 3 | 0.0 | 0.175 | 0.368 | (0;010) | ✗ | 05/01/17 |
Rb2B2Se7 | COD | 1510813 | C2/c (15) | ✔ | 22 | 132 | 2 | 1.852 | 1.932 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ti2ReB2 | COD | 1510814 | P4/mbm (127) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.825 | (0;000) | ✗ | 05/01/17 |
Sc3B2Rh5 | COD | 1510816 | P4/mbm (127) | ✔ | 20 | 248 | 3 | 0.0 | 0.002 | 0.496 | (1;000) | ✗ | 21/03/17 |
B2Ru | COD | 1510818 | Pmmn (59) | ✔ | 6 | 44 | 3 | 0.0 | 0.059 | 0.376 | (0;010) | ✗ | 05/01/17 |
Sr3(BS3)2 | COD | 1510829 | C2/c (15) | ✔ | 22 | 144 | 1 | 2.2685 | 2.290 | 0.000 | (0;000) | ✗ | 07/08/17 |
Tl2B2Se7 | COD | 1510832 | C2/c (15) | ✔ | 22 | 148 | 3 | 1.2078 | 1.298 | 0.000 | (0;000) | ✗ | 04/08/17 |
V5SiB2 | COD | 1510833 | I4/mcm (140) | ✔ | 16 | 150 | 3 | 0.0 | 0.001 | 0.686 | (1;100) | ✗ | 21/03/17 |
V3B2 | COD | 1510850 | P4/mbm (127) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.899 | (0;000) | ✗ | 05/01/17 |
B2W | COD | 1510851 | P6/mmm (191) | ✔ | 3 | 20 | 3 | 0.0 | 0.000 | 0.751 | (0;001) | ✗ | 05/01/17 |
B2W | COD | 1510852 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.043 | 0.756 | (0;000) | ✗ | 11/04/17 |
ZrB2 | COD | 1510857 | P6/mmm (191) | ✔ | 3 | 10 | 3 | 0.0 | 0.022 | 0.126 | (0;001) | ✗ | 05/01/17 |
VCoB3 | COD | 1510897 | Cmcm (63) | ✔ | 10 | 78 | 3 | 0.0 | 0.000 | 0.647 | (0;110) | ✗ | 05/01/17 |
Co(BW)3 | COD | 1510898 | Cmcm (63) | ✔ | 14 | 220 | 3 | 0.0 | 0.011 | 0.418 | (0;110) | ✗ | 11/04/17 |
Cr2B3 | COD | 1510903 | Cmcm (63) | ✔ | 10 | 74 | 3 | 0.0 | 0.000 | 0.854 | (0;000) | ✗ | 05/01/17 |
ZnB3Ir4 | COD | 1510918 | Pmmm (47) | ✔ | 16 | 178 | 3 | 0.0 | 0.013 | 0.860 | (0;010) | ✗ | 21/03/17 |
KBS2 | COD | 1510923 | R-3c (167) | ✔ | 24 | 144 | 1 | 2.6619 | 2.662 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaBS2 | COD | 1510938 | R-3c (167) | ✔ | 24 | 144 | 1 | 2.4962 | 2.496 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ni4B3 | COD | 1510942 | C2/c (15) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.809 | (1;101) | ✗ | 05/01/17 |
RbBS2 | COD | 1510950 | R-3c (167) | ✔ | 24 | 144 | 1 | 2.7693 | 2.769 | 0.000 | (0;000) | ✗ | 04/08/17 |
B3Ru2 | COD | 1510952 | P6_3/mmc (194) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.995 | (1;000) | ✗ | 05/01/17 |
B3Ru7 | COD | 1510953 | P6_3mc (186) | ✗ | 20 | 242 | 3 | 0.0 | 0.000 | 0.771 | ? | ✗ | 21/03/17 |
V2B3 | COD | 1510956 | Cmcm (63) | ✔ | 10 | 70 | 3 | 0.0 | 0.000 | 0.911 | (0;110) | ✗ | 05/01/17 |
BCl2 | COD | 1510986 | Pbca (61) | ✔ | 24 | 136 | 1 | 2.6338 | 2.634 | 0.000 | (0;000) | ✗ | 04/08/17 |
NbCoB2 | COD | 1510988 | Pnma (62) | ✔ | 16 | 144 | 3 | 0.0 | 0.007 | 0.245 | (0;000) | ✗ | 05/01/17 |
Co2B2O5 | COD | 1511002 | P-1 (2) | ✔ | 18 | 140 | 3 | 0.0 | 0.014 | 0.458 | (1;111) | ✗ | 05/01/17 |
TiO2 | COD | 1511015 | P4_2/mnm (136) | ✔ | 6 | 48 | 3 | 1.8907 | 1.891 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3BN3 | COD | 1511018 | P4/mmm (123) | ✔ | 7 | 48 | 1 | 0.4803 | 0.491 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sc7BCl12 | COD | 1511042 | R-3 (148) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.743 | (0;000) | ✗ | 02/02/17 |
BCl3 | COD | 1511049 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 3.2405 | 3.349 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc4BCl6 | COD | 1511052 | Pbam (55) | ✔ | 22 | 178 | 3 | 0.0 | 0.000 | 0.993 | (0;011) | ✗ | 07/08/17 |
CoBMo | COD | 1511054 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.006 | 0.231 | (0;000) | ✗ | 05/01/17 |
CoReB | COD | 1511055 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.512 | (0;011) | ✗ | 05/01/17 |
CoBW | COD | 1511056 | Pnma (62) | ✔ | 12 | 136 | 3 | 1.5852 | 0.022 | 1.000 | (0;000) | ✗ | 21/03/17 |
Co2B | COD | 1511063 | I4/mcm (140) | ✔ | 6 | 74 | 3 | 0.0 | 0.000 | 0.445 | (1;111) | ✗ | 05/01/17 |
Co3B | COD | 1511066 | Pnma (62) | ✔ | 16 | 216 | 3 | 0.0 | 0.018 | 0.208 | (1;000) | ✗ | 21/03/17 |
YCo4B | COD | 1511072 | P6/mmm (191) | ✔ | 12 | 164 | 3 | 0.0 | 0.005 | 0.493 | (1;000) | ✗ | 05/01/17 |
CsBO2 | COD | 1511080 | R-3c (167) | ✔ | 24 | 144 | 2 | 4.077 | 4.084 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsBSe3 | COD | 1511083 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 1.7859 | 1.948 | 0.000 | (0;000) | ✗ | 02/02/17 |
InBF4 | COD | 1511123 | Pnma (62) | ✔ | 24 | 176 | 1 | 4.5108 | 4.575 | 0.000 | (0;000) | ✗ | 04/08/17 |
NbFeB | COD | 1511130 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.809 | ? | ✗ | 15/02/17 |
FeBO3 | COD | 1511131 | R-3c (167) | ✔ | 10 | 58 | 3 | 0.0 | 0.001 | 0.646 | (0;000) | ✗ | 05/01/17 |
Fe3BO5 | COD | 1511157 | P2/m (10) | ✔ | 18 | 114 | 3 | 0.0 | 0.005 | 0.752 | (1;100) | ✗ | 05/01/17 |
BI3 | COD | 1511187 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 2.4263 | 2.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiBIr | COD | 1511190 | Fddd (70) | ✔ | 12 | 92 | 3 | 0.0 | 0.038 | 0.253 | (1;111) | ✗ | 05/01/17 |
LiBPt3 | COD | 1511220 | P-62m (189) | ✗ | 15 | 108 | 3 | 0.0 | 0.000 | 0.810 | ? | ✗ | 21/03/17 |
Li2BPd3 | COD | 1511224 | P4_332 (212) | ✗ | 24 | 252 | 3 | 0.0 | 0.000 | 0.557 | ? | ✗ | 04/08/17 |
Li2BPt3 | COD | 1511225 | P4_332 (212) | ✗ | 24 | 156 | 3 | 0.0 | 0.000 | 0.530 | ? | ✗ | 04/08/17 |
Li3BN2 | COD | 1511227 | P4_2/mnm (136) | ✔ | 12 | 44 | 1 | 3.4812 | 4.061 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg3BN3 | COD | 1511235 | P6_3/mmc (194) | ✔ | 14 | 96 | 3 | 1.5131 | 1.513 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnB | COD | 1511236 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.010 | 0.591 | (1;000) | ✗ | 27/01/17 |
Mn2B | COD | 1511237 | I4/mcm (140) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.530 | (1;111) | ✗ | 27/01/17 |
BMo2 | COD | 1511240 | I4/mcm (140) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.653 | (1;000) | ✗ | 27/01/17 |
Na3BN2 | COD | 1511245 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.7121 | 1.849 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaBPt3 | COD | 1511249 | P6/mmm (191) | ✔ | 10 | 84 | 3 | 0.0 | 0.039 | 0.685 | (1;000) | ✗ | 27/01/17 |
Na3BS3 | COD | 1511253 | C2/c (15) | ✔ | 14 | 96 | 1 | 2.5788 | 2.726 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbB | COD | 1511254 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.024 | 0.365 | (1;000) | ✗ | 27/01/17 |
NbNiB | COD | 1511255 | Cmcm (63) | ✔ | 6 | 52 | 3 | 0.0 | 0.011 | 0.215 | (1;110) | ✗ | 27/01/17 |
Ni2B | COD | 1511265 | I4/mcm (140) | ✔ | 6 | 46 | 3 | 0.0 | 0.001 | 0.828 | (0;111) | ✗ | 27/01/17 |
Tl3BO3 | COD | 1511279 | P6_3/m (176) | ✔ | 14 | 120 | 3 | 1.3717 | 1.560 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaBO4 | COD | 1511288 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 3.5135 | 3.581 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sc3BPb | COD | 1511293 | Pm-3m (221) | ✔ | 5 | 50 | 3 | 0.0 | 0.000 | 0.106 | (1;000) | ✗ | 27/01/17 |
BPd2 | COD | 1511294 | Pnnm (58) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.880 | (1;010) | ✗ | 27/01/17 |
BPd3 | COD | 1511295 | Pnma (62) | ✔ | 16 | 228 | 3 | 0.0 | 0.000 | 0.634 | (1;110) | ✗ | 27/01/17 |
BPt | COD | 1511304 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.556 | (1;000) | ✗ | 27/01/17 |
RbBS3 | COD | 1511306 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 2.3694 | 2.627 | 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 |
Re3B | COD | 1511311 | Cmcm (63) | ✔ | 8 | 96 | 3 | 0.0 | 0.008 | 0.656 | (1;000) | ✗ | 27/01/17 |