▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BNF4 | COD | 9015016 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.005 | 0.482 | (0;000) | ✗ | 04/08/17 |
SrPO4 | COD | 9015018 | P-1 (2) | ✔ | 24 | 156 | 1 | 0.0 | 0.002 | 0.180 | (1;001) | ✗ | 04/08/17 |
BaNb6O17 | COD | 9015043 | Immm (71) | ✔ | 24 | 190 | 2 | 0.0 | 0.012 | 0.670 | (1;111) | ✗ | 04/08/17 |
Fe2O3 | COD | 9015065 | R-3c (167) | ✔ | 10 | 68 | 3 | 0.0 | 0.011 | 0.606 | (1;000) | ✗ | 27/01/17 |
FeSe | COD | 9015076 | P6_3/mmc (194) | ✔ | 4 | 28 | 3 | 0.0 | 0.021 | 0.225 | (0;000) | ✗ | 27/01/17 |
MgW | COD | 9015083 | Pmma (51) | ✔ | 4 | 48 | 1 | 0.0 | 0.094 | 0.191 | (0;000) | ✗ | 27/01/17 |
As3Rh | COD | 9015095 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.0 | 0.000 | 0.038 | (1;000) | ✗ | 30/01/17 |
NF | COD | 9015107 | P6_3mc (186) | ✗ | 4 | 24 | 1 | 0.0 | 0.001 | 0.065 | (1;000) | ✔ | 15/02/17 |
Fe3Si | COD | 9015110 | Fm-3m (225) | ✔ | 4 | 28 | 3 | 0.0 | 0.000 | 0.618 | (0;000) | ✗ | 27/01/17 |
Co(IN2)3 | COD | 9015112 | Fm-3m (225) | ✔ | 10 | 68 | 1 | 0.0 | 0.033 | 0.289 | (1;000) | ✗ | 02/02/17 |
Ti(NCl)4 | COD | 9015114 | I4/mmm (139) | ✔ | 9 | 60 | 1 | 0.0 | 0.001 | 0.840 | (1;000) | ✗ | 02/02/17 |
Ag3As | COD | 9015121 | Pm-3n (223) | ✔ | 8 | 76 | 3 | 0.0 | 0.018 | 0.286 | (1;000) | ✗ | 30/01/17 |
Ba(PO4)2 | COD | 9015132 | P-1 (2) | ✔ | 22 | 136 | 1 | 0.0 | 0.001 | 0.505 | (1;001) | ✗ | 04/08/17 |
FeO2 | COD | 9015156 | Cmcm (63) | ✔ | 6 | 40 | 2 | 0.0 | 0.022 | 0.728 | (0;000) | ✗ | 27/01/17 |
MgSO9 | COD | 9015164 | R3 (146) | ✗ | 11 | 70 | 1 | 0.0 | 0.003 | 0.521 | ? | ✗ | 29/03/17 |
NbO3 | COD | 9015165 | Im3 (204) | ✔ | 16 | 124 | 3 | 0.0 | 0.002 | 0.701 | (0;111) | ✗ | 02/02/17 |
Hg2IO | COD | 9015189 | C2/c (15) | ✔ | 16 | 148 | 3 | 0.9124 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsRe | COD | 9015216 | Pnma (62) | ✔ | 8 | 96 | 1 | 0.0 | 0.006 | 0.325 | (0;000) | ✗ | 02/02/17 |
TlRe | COD | 9015220 | Imma (74) | ✔ | 4 | 56 | 1 | 0.0 | 0.002 | 0.224 | (0;000) | ✗ | 02/02/17 |
PbClO | COD | 9015232 | Pnma (62) | ✔ | 12 | 108 | 1 | 0.0 | 0.001 | 0.436 | (1;011) | ✗ | 02/02/17 |
Al(NF2)3 | COD | 9015240 | Fm-3m (225) | ✔ | 10 | 60 | 1 | 0.0 | 0.002 | 0.394 | (1;000) | ✗ | 05/01/17 |
Pb3SeO5 | COD | 9015251 | Cmc2_1 (36) | ✗ | 18 | 156 | 3 | 2.4974 | 2.498 | 0.000 | (0;000) | ✗ | 29/03/17 |
Mg(BrO3)2 | COD | 9015252 | C2/m (12) | ✔ | 9 | 60 | 1 | 0.0 | 0.007 | 0.663 | (0;000) | ✗ | 02/02/17 |
FeCO3 | COD | 9015260 | R-3c (167) | ✔ | 10 | 60 | 3 | 0.8678 | 0.959 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sb3Rh | COD | 9015265 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.0 | 0.000 | 0.030 | (1;000) | ✗ | 02/02/17 |
CS2 | COD | 9015270 | P3_221 (154) | ✗ | 9 | 48 | 3 | 0.0 | 0.007 | 0.167 | (0;000) | ✔ | 15/03/17 |
Mg(SbO3)2 | COD | 9015308 | P4_2/mnm (136) | ✔ | 18 | 112 | 3 | 1.632 | 1.632 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbClO | COD | 9015322 | Pnma (62) | ✔ | 12 | 108 | 2 | 0.0 | 0.001 | 0.655 | (1;011) | ✗ | 02/02/17 |
TiS | COD | 9015328 | R-3m (166) | ✔ | 6 | 54 | 3 | 0.0 | 0.005 | 0.828 | (1;111) | ✗ | 29/03/17 |
CrHO2 | COD | 9015340 | Pmn2_1 (31) | ✗ | 8 | 54 | 3 | 0.0 | 0.000 | 0.917 | ? | ✗ | 15/02/17 |
CaSO6 | COD | 9015350 | C2/c (15) | ✔ | 16 | 104 | 1 | 0.0 | 0.006 | 0.453 | (0;000) | ✗ | 02/02/17 |
TiO2 | COD | 9015355 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.2133 | 1.213 | 0.000 | (0;000) | ✗ | 27/01/17 |
HCl | COD | 9015375 | Fm-3m (225) | ✔ | 2 | 8 | 1 | 0.0 | 0.000 | 0.102 | (1;000) | ✗ | 27/01/17 |
KBO2 | COD | 9015380 | R-3c (167) | ✔ | 24 | 144 | 1 | 4.2603 | 4.260 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsSO3 | COD | 9015381 | P-62c (190) | ✗ | 20 | 132 | 3 | 0.0 | 0.025 | 0.071 | (0;000) | ✔ | 24/04/17 |
ZnSb2 | COD | 9015418 | P-4n2 (118) | ✗ | 6 | 44 | 3 | 0.0 | 0.012 | 0.273 | (0;011) | ✔ | 29/03/17 |
Pd(NCl2)2 | COD | 9015430 | P4/mmm (123) | ✔ | 7 | 56 | 1 | 0.0 | 0.001 | 0.522 | (0;000) | ✗ | 02/02/17 |
SbAsO3 | COD | 9015432 | P2_1/c (14) | ✔ | 20 | 112 | 2 | 0.0 | 3.554 | 1.000 | (0;000) | ✗ | 21/03/17 |
LiP | COD | 9015447 | P2_1/c (14) | ✔ | 16 | 64 | 1 | 0.8201 | 1.112 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiS2 | COD | 9015451 | P3_221 (154) | ✗ | 9 | 48 | 3 | 1.5581 | 1.581 | 0.000 | (0;000) | ✗ | 15/02/17 |
P | COD | 9015458 | P4/nmm (129) | ✔ | 4 | 20 | 1 | 0.0 | 0.005 | 0.310 | (0;000) | ✗ | 02/02/17 |
Pt(S3N)2 | COD | 9015488 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.002 | 0.439 | (0;000) | ✗ | 02/02/17 |
CoSb3 | COD | 9015513 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.025 | 0.025 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaBO2 | COD | 9015516 | R-3c (167) | ✔ | 24 | 144 | 1 | 3.7128 | 3.713 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sn(NCl3)2 | COD | 9015542 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 0.0 | 0.000 | 0.534 | (1;000) | ✗ | 02/02/17 |
Zn(HO)2 | COD | 9015545 | P2_12_12_1 (19) | ✗ | 20 | 104 | 3 | 3.5812 | 3.581 | 0.000 | (0;000) | ✗ | 28/03/17 |
IN | COD | 9015547 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.005 | 0.477 | (1;111) | ✗ | 30/01/17 |
As2S3 | COD | 9015549 | P-1 (2) | ✔ | 20 | 112 | 1 | 1.7681 | 2.000 | 0.000 | (0;000) | ✗ | 30/01/17 |
P2Pt | COD | 9015563 | Pa3 (205) | ✔ | 12 | 80 | 3 | 1.0589 | 1.460 | 0.000 | (0;000) | ✗ | 27/01/17 |
TePb2O5 | COD | 9015570 | C2/c (15) | ✔ | 16 | 128 | 3 | 2.1428 | 2.356 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe2O2F5 | COD | 9015576 | Imma (74) | ✔ | 18 | 126 | 3 | 0.0 | 0.000 | 0.452 | (1;001) | ✗ | 02/02/17 |
Cl2 | COD | 9015583 | P4_2/ncm (138) | ✔ | 16 | 112 | 1 | 0.2095 | 0.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
CO2 | COD | 9015590 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 5.8337 | 5.985 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sr2Mn2O5 | COD | 9015609 | Pbam (55) | ✔ | 18 | 160 | 3 | 0.0 | 0.005 | 0.685 | (1;000) | ✗ | 02/02/17 |
Zn2SiO5 | COD | 9015618 | Imm2 (44) | ✗ | 16 | 116 | 3 | 0.0 | 0.005 | 0.337 | ? | ✗ | 04/08/17 |
SN | COD | 9015628 | P4/nmm (129) | ✔ | 4 | 22 | 1 | 0.0 | 0.000 | 0.887 | (0;000) | ✗ | 27/01/17 |
H7O4 | COD | 9015632 | Ibam (72) | ✔ | 22 | 62 | 2 | 0.0 | 0.000 | 0.810 | (1;111) | ✗ | 04/08/17 |
FeCuS2 | COD | 9015636 | I-42d (122) | ✗ | 8 | 62 | 3 | 0.0 | 0.000 | 0.762 | ? | ✗ | 15/02/17 |
HgNCl3 | COD | 9015637 | P4/mmm (123) | ✔ | 5 | 38 | 2 | 0.0 | 0.003 | 0.149 | (0;110) | ✗ | 27/01/17 |
CaSnO3 | COD | 9015651 | Pnma (62) | ✔ | 20 | 168 | 3 | 2.7125 | 2.829 | 0.000 | (0;000) | ✗ | 02/02/17 |
Se(Br3N)2 | COD | 9015666 | Fm-3m (225) | ✔ | 9 | 58 | 1 | 0.0 | 0.012 | 0.593 | (0;000) | ✗ | 02/02/17 |
NClO4 | COD | 9015684 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.6394 | 0.645 | 0.000 | (0;000) | ✗ | 04/08/17 |
MnO2 | COD | 9015694 | Cmmm (65) | ✔ | 6 | 54 | 3 | 0.0 | 0.010 | 0.783 | (0;110) | ✗ | 27/01/17 |
NiAsRh | COD | 9015763 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.007 | 0.328 | (1;001) | ✗ | 05/01/17 |
FeCl2 | COD | 9015767 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5433 | 0.550 | 0.000 | (0;000) | ✗ | 27/01/17 |
AsS | COD | 9015797 | C2/c (15) | ✔ | 16 | 88 | 1 | 1.7512 | 1.920 | 0.000 | (0;000) | ✗ | 30/01/17 |
SnSb4S7 | COD | 9015820 | P2_1/m (11) | ✔ | 24 | 152 | 2 | 0.322 | 0.617 | 0.000 | (0;000) | ✗ | 04/08/17 |
NClO4 | COD | 9015836 | F-43m (216) | ✗ | 6 | 36 | 1 | 0.0 | 0.003 | 0.207 | (0;000) | ✔ | 15/02/17 |
Ag3P | COD | 9015865 | Pm-3n (223) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.278 | (0;000) | ✗ | 30/01/17 |
Zn(NCl)2 | COD | 9015876 | Imma (74) | ✔ | 10 | 72 | 1 | 0.0 | 0.000 | 0.771 | (1;000) | ✗ | 02/02/17 |
NaI | COD | 9015919 | I4_1/amd (141) | ✔ | 4 | 32 | 1 | 1.0237 | 1.101 | 0.000 | (0;000) | ✗ | 30/01/17 |
CuO | COD | 9015924 | C2/c (15) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.506 | (1;100) | ✗ | 27/01/17 |
BrN | COD | 9015934 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.067 | 0.688 | (0;000) | ✗ | 27/01/17 |
Cr(HO)2 | COD | 9015967 | Pnnm (58) | ✔ | 10 | 56 | 3 | 0.0 | 0.001 | 0.376 | (0;000) | ✗ | 04/08/17 |
NaNbO3 | COD | 9015979 | R-3 (148) | ✔ | 10 | 80 | 1 | 3.8433 | 3.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoPO7 | COD | 9016001 | P2_1/m (11) | ✔ | 18 | 122 | 2 | 0.0 | 0.000 | 0.748 | (1;011) | ✗ | 02/02/17 |
KSb | COD | 9016016 | P2_1/c (14) | ✔ | 16 | 112 | 3 | 0.0 | 0.727 | 1.000 | (0;000) | ✗ | 02/02/17 |
MnNF3 | COD | 9016032 | Pbam (55) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.931 | (1;000) | ✗ | 04/08/17 |
Pt(NCl3)2 | COD | 9016043 | Fm-3m (225) | ✔ | 9 | 62 | 1 | 0.0 | 0.000 | 0.566 | (1;000) | ✗ | 02/02/17 |
Li2O2 | COD | 9016055 | P4/nmm (129) | ✔ | 4 | 18 | 1 | 0.0 | 0.000 | 0.751 | (0;000) | ✗ | 27/01/17 |
NaIO3 | COD | 9016104 | Cmmm (65) | ✔ | 5 | 34 | 3 | 0.0 | 0.018 | 0.496 | (0;111) | ✗ | 30/01/17 |
HNF2 | COD | 9016159 | Pmna (53) | ✔ | 16 | 80 | 1 | 0.0 | 0.002 | 0.279 | (0;000) | ✗ | 02/02/17 |
SiS4 | COD | 9016170 | Cmmm (65) | ✔ | 5 | 28 | 3 | 0.0 | 0.023 | 0.465 | (1;001) | ✗ | 27/01/17 |
Fe3C | COD | 9016182 | Pnma (62) | ✔ | 16 | 112 | 3 | 0.0 | 0.011 | 0.285 | (1;000) | ✗ | 27/01/17 |
AlNF4 | COD | 9016185 | I4/mcm (140) | ✔ | 12 | 72 | 2 | 0.0 | 0.002 | 0.137 | (0;000) | ✗ | 05/01/17 |
Zn(BrN)2 | COD | 9016192 | Imma (74) | ✔ | 10 | 72 | 1 | 0.0 | 0.001 | 0.725 | (1;000) | ✗ | 02/02/17 |
NClO4 | COD | 9016196 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.002 | 0.332 | (0;000) | ✗ | 04/08/17 |
HfGe | COD | 9016210 | I4_1/amd (141) | ✔ | 4 | 32 | 3 | 0.0 | 0.002 | 0.343 | (1;111) | ✗ | 27/01/17 |
SiO2 | COD | 9016225 | P2_1/c (14) | ✔ | 24 | 128 | 3 | 5.7736 | 5.777 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiNbO3 | COD | 9016248 | R-3 (148) | ✔ | 10 | 68 | 1 | 3.7653 | 3.863 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cd(NCl)2 | COD | 9016251 | Cmmm (65) | ✔ | 5 | 36 | 1 | 0.0 | 0.007 | 0.674 | (0;111) | ✗ | 27/01/17 |
CsI | COD | 9016261 | Pnma (62) | ✔ | 8 | 64 | 1 | 2.5201 | 2.520 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiO | COD | 9016272 | C2/m (12) | ✔ | 10 | 90 | 3 | 0.0 | 0.007 | 0.640 | (1;000) | ✗ | 27/01/17 |
NiO2 | COD | 9016308 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5221 | 0.662 | 0.000 | (0;000) | ✗ | 27/01/17 |
Se(NCl3)2 | COD | 9016312 | Fm-3m (225) | ✔ | 9 | 58 | 1 | 0.0 | 0.000 | 0.420 | (1;000) | ✗ | 02/02/17 |
Cr(ClO2)3 | COD | 9016332 | R-3c (167) | ✔ | 20 | 142 | 3 | 0.0 | 0.021 | 1.000 | (0;000) | ✗ | 02/02/17 |
BrN | COD | 9016337 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.007 | 0.619 | (0;000) | ✗ | 27/01/17 |
TiNi | COD | 9016342 | P2_1/m (11) | ✔ | 4 | 44 | 3 | 0.0 | 0.014 | 0.469 | (0;000) | ✗ | 27/01/17 |
SiS2 | COD | 9016349 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 1.268 | 1.837 | 0.000 | (0;000) | ✗ | 29/03/17 |
RuS2 | COD | 9016356 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.7339 | 0.971 | 0.000 | (0;000) | ✗ | 27/01/17 |