▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▹ met. |
▴ ν |
wcc |
▹ updated |
BiPO4 |
ICSD |
27469 |
P2_1 (4) |
✗ |
12 |
68 |
3 |
2.0944 |
2.399 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CdC |
ICSD |
183178 |
F-43m (216) |
✗ |
2 |
16 |
3 |
0.0 |
0.000 |
0.842 |
(0;000) |
✔ |
06/10/16 |
KSb2 |
ICSD |
80945 |
C2/m (12) |
✔ |
6 |
38 |
1 |
0.1801 |
0.569 |
0.000 |
(0;000) |
✔ |
02/02/17 |
TaCu3Te4 |
ICSD |
80282 |
P-43m (215) |
✗ |
8 |
70 |
3 |
1.0131 |
1.581 |
0.000 |
(0;000) |
✗ |
06/10/16 |
KNbO3 |
ICSD |
190922 |
C2mm (38) |
✗ |
5 |
40 |
3 |
2.1224 |
2.960 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Cd2P3Br |
ICSD |
100817 |
Cc (9) |
✗ |
12 |
92 |
3 |
1.0294 |
1.383 |
0.000 |
(0;000) |
✗ |
06/10/16 |
HgIBr |
ICSD |
109010 |
Ccm2_1 (36) |
✗ |
6 |
52 |
2 |
1.3842 |
1.389 |
0.000 |
(0;000) |
✗ |
06/10/16 |
KBrO3 |
ICSD |
33663 |
R3m (160) |
✗ |
5 |
34 |
1 |
3.1451 |
3.145 |
0.000 |
(0;000) |
✗ |
06/10/16 |
LiNbO3 |
ICSD |
169695 |
R3c (161) |
✗ |
10 |
68 |
3 |
3.429 |
3.550 |
0.000 |
(0;000) |
✗ |
06/10/16 |
KBrO3 |
ICSD |
74767 |
R3m (160) |
✗ |
5 |
34 |
1 |
3.8919 |
3.892 |
0.000 |
(0;000) |
✗ |
06/10/16 |
RbBrO3 |
ICSD |
74768 |
R3m (160) |
✗ |
5 |
34 |
1 |
4.0343 |
4.035 |
0.000 |
(0;000) |
✗ |
06/10/16 |
TlBrO3 |
ICSD |
76966 |
R3m (160) |
✗ |
5 |
38 |
1 |
2.7769 |
2.778 |
0.000 |
(0;000) |
✗ |
06/10/16 |
SbSBr |
ICSD |
88587 |
P2_1nb (33) |
✗ |
12 |
72 |
1 |
1.6228 |
1.792 |
0.000 |
(0;000) |
✗ |
06/10/16 |
ZnCd3S4 |
ICSD |
169187 |
P-43m (215) |
✗ |
8 |
72 |
3 |
1.364 |
1.364 |
0.000 |
(0;000) |
✗ |
06/10/16 |
LiNbO3 |
ICSD |
169696 |
R3c (161) |
✗ |
10 |
68 |
3 |
3.0848 |
3.185 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CaGa |
ICSD |
260641 |
Ccmm (63) |
✔ |
4 |
46 |
1 |
0.0 |
0.000 |
0.830 |
(0;000) |
✗ |
06/10/16 |
TaCu3Se4 |
ICSD |
156981 |
P-43m (215) |
✗ |
8 |
70 |
3 |
1.5486 |
1.963 |
0.000 |
(0;000) |
✗ |
06/10/16 |
TaCu3Se4 |
ICSD |
427174 |
P-43m (215) |
✗ |
8 |
70 |
3 |
1.5807 |
2.033 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CaC2 |
ICSD |
74665 |
I4/mmm (139) |
✔ |
3 |
18 |
1 |
1.6401 |
2.615 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Li2S |
ICSD |
91283 |
P2_1nb (33) |
✗ |
12 |
48 |
1 |
2.808 |
3.650 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CaC2 |
ICSD |
66663 |
P-1 (2) |
✔ |
6 |
36 |
1 |
2.4633 |
3.084 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Nb3SBr7 |
ICSD |
81078 |
P3m1 (156) |
✗ |
11 |
94 |
2 |
0.7653 |
0.766 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Ta3SBr7 |
ICSD |
51101 |
Cm (8) |
✗ |
11 |
94 |
2 |
0.7877 |
0.789 |
0.000 |
(0;000) |
✗ |
06/10/16 |
AgCN |
ICSD |
85783 |
R3m (160) |
✗ |
3 |
20 |
1 |
2.5177 |
3.110 |
0.000 |
(0;000) |
✗ |
06/10/16 |
RhBr3 |
ICSD |
28245 |
C2/m (12) |
✔ |
8 |
76 |
2 |
1.23 |
1.361 |
0.000 |
(0;000) |
✗ |
02/02/17 |
AuCN |
ICSD |
165175 |
P6mm (183) |
✗ |
3 |
20 |
3 |
0.9094 |
1.164 |
0.000 |
(0;000) |
✗ |
06/10/16 |
AuCN |
ICSD |
85782 |
P6mm (183) |
✗ |
3 |
20 |
3 |
0.0 |
0.999 |
0.053 |
(0;000) |
✔ |
06/10/16 |
Rb4CO4 |
ICSD |
245437 |
R3 (146) |
✗ |
9 |
64 |
3 |
2.8509 |
2.870 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BaCO3 |
ICSD |
158389 |
R3m (160) |
✗ |
5 |
32 |
1 |
3.7206 |
3.786 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BaCO3 |
ICSD |
158390 |
R3m (160) |
✗ |
5 |
32 |
1 |
3.7237 |
3.789 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Na2Cl |
ICSD |
190546 |
Cmmm (65) |
✔ |
6 |
50 |
3 |
0.0 |
0.508 |
0.159 |
(0;000) |
✗ |
06/10/16 |
CaCO3 |
ICSD |
161820 |
C222_1 (20) |
✗ |
10 |
64 |
3 |
5.1926 |
5.193 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CaCO3 |
ICSD |
180348 |
R-3c (167) |
✔ |
10 |
64 |
2 |
5.0647 |
5.184 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CaCO3 |
ICSD |
180349 |
R-3c (167) |
✔ |
10 |
64 |
2 |
5.1604 |
5.214 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CdCN2 |
ICSD |
95265 |
R3m (160) |
✗ |
4 |
26 |
3 |
2.021 |
2.021 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CClF3 |
ICSD |
49696 |
Ccm2_1 (36) |
✗ |
10 |
64 |
1 |
6.6335 |
6.643 |
0.000 |
(0;000) |
✗ |
06/10/16 |
C(ClF)2 |
ICSD |
33946 |
F2dd (43) |
✗ |
10 |
64 |
1 |
5.5318 |
5.537 |
0.000 |
(0;000) |
✗ |
06/10/16 |
C(ClF)2 |
ICSD |
33947 |
F2dd (43) |
✗ |
10 |
64 |
1 |
5.63 |
5.635 |
0.000 |
(0;000) |
✗ |
06/10/16 |
C(ClF)2 |
ICSD |
33948 |
F2dd (43) |
✗ |
10 |
64 |
1 |
5.7375 |
5.742 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CIN |
ICSD |
77911 |
R3m (160) |
✗ |
3 |
16 |
1 |
3.8512 |
3.926 |
0.000 |
(0;000) |
✗ |
06/10/16 |
KCN |
ICSD |
173942 |
Cc (9) |
✗ |
6 |
36 |
1 |
5.131 |
5.273 |
0.000 |
(0;000) |
✗ |
06/10/16 |
KCN |
ICSD |
27350 |
Cm (8) |
✗ |
3 |
18 |
1 |
4.9473 |
5.716 |
0.000 |
(0;000) |
✗ |
06/10/16 |
KCN |
ICSD |
27351 |
Cm (8) |
✗ |
3 |
18 |
1 |
4.6894 |
5.539 |
0.000 |
(0;000) |
✗ |
06/10/16 |
KCN |
ICSD |
27352 |
Cm (8) |
✗ |
3 |
18 |
1 |
5.6021 |
6.193 |
0.000 |
(0;000) |
✗ |
06/10/16 |
K4CO4 |
ICSD |
245417 |
P-43m (215) |
✗ |
9 |
64 |
3 |
2.878 |
2.878 |
0.000 |
(0;000) |
✗ |
06/10/16 |
K4CO4 |
ICSD |
245418 |
R3m (160) |
✗ |
9 |
64 |
3 |
2.2834 |
2.355 |
0.000 |
(0;000) |
✗ |
06/10/16 |
K4CO4 |
ICSD |
245421 |
Cm (8) |
✗ |
9 |
64 |
3 |
0.521 |
0.796 |
0.000 |
(0;000) |
✗ |
06/10/16 |
K4CO4 |
ICSD |
245422 |
C2 (5) |
✗ |
9 |
64 |
2 |
2.3193 |
2.486 |
0.000 |
(0;000) |
✗ |
06/10/16 |
K4CO4 |
ICSD |
245423 |
R3 (146) |
✗ |
9 |
64 |
3 |
3.2247 |
3.274 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Ge2N2O |
ICSD |
200849 |
Cmc2_1 (36) |
✗ |
10 |
48 |
3 |
2.2545 |
2.593 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Plotting...