▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▴ met. |
▹ ν |
wcc |
▹ updated |
CuI |
ICSD |
24772 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.9338 |
0.934 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BaO2 |
ICSD |
180398 |
Cmmm (65) |
✔ |
3 |
22 |
2 |
0.6441 |
1.164 |
0.000 |
(0;000) |
✗ |
05/01/17 |
AsI3 |
ICSD |
23003 |
R-3 (148) |
✔ |
8 |
52 |
1 |
1.9506 |
2.019 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CuI |
ICSD |
84217 |
P3m1 (156) |
✗ |
4 |
36 |
2 |
1.3365 |
1.337 |
0.000 |
(0;000) |
✗ |
06/10/16 |
B6P |
ICSD |
615157 |
R-3m (166) |
✔ |
14 |
46 |
3 |
2.3732 |
2.493 |
0.000 |
(0;000) |
✗ |
05/01/17 |
InCl |
ICSD |
2430 |
Cmcm (63) |
✔ |
4 |
40 |
1 |
1.443 |
1.529 |
0.000 |
(0;000) |
✗ |
27/01/17 |
CuP2 |
ICSD |
35282 |
P2_1/c (14) |
✔ |
12 |
84 |
2 |
0.8655 |
0.866 |
0.000 |
(0;000) |
✗ |
06/10/16 |
PbS |
ICSD |
183241 |
Pmnb (62) |
✔ |
8 |
80 |
2 |
0.9413 |
0.962 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BaTe3 |
ICSD |
36366 |
P-42_1m (113) |
✗ |
8 |
56 |
1 |
0.719 |
0.730 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BaF2 |
ICSD |
41651 |
P6_3/mmc (194) |
✔ |
6 |
48 |
2 |
5.7976 |
6.002 |
0.000 |
(0;000) |
✗ |
05/01/17 |
FeAs2 |
ICSD |
41724 |
Pmnn (58) |
✔ |
6 |
36 |
3 |
0.2853 |
0.617 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Mg3As2 |
ICSD |
24485 |
Pn-3m (224) |
✔ |
10 |
80 |
3 |
0.7835 |
0.869 |
0.000 |
(0;000) |
✗ |
06/10/16 |
MgF2 |
ICSD |
51242 |
Cm2m (38) |
✗ |
3 |
24 |
1 |
0.86 |
0.994 |
0.000 |
(0;000) |
✗ |
06/10/16 |
As2Os |
ICSD |
42610 |
Pmnn (58) |
✔ |
6 |
52 |
3 |
0.6535 |
1.171 |
0.000 |
(0;000) |
✗ |
06/10/16 |
As2Ru |
ICSD |
42578 |
Pmnn (58) |
✔ |
6 |
52 |
3 |
0.2439 |
0.936 |
0.000 |
(0;000) |
✗ |
06/10/16 |
SbF3 |
ICSD |
16142 |
Cc2m (40) |
✗ |
8 |
52 |
3 |
4.4474 |
4.748 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GeF4 |
ICSD |
202558 |
I-43m (217) |
✗ |
5 |
32 |
1 |
6.2961 |
6.758 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CO2 |
ICSD |
110776 |
Pnnm (58) |
✔ |
6 |
32 |
1 |
2.2578 |
3.149 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BeO |
ICSD |
163467 |
F-43m (216) |
✗ |
2 |
10 |
1 |
6.9092 |
7.605 |
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 |
PdF4 |
ICSD |
1555 |
F2dd (43) |
✗ |
10 |
76 |
3 |
0.6264 |
0.669 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Bi2O3 |
ICSD |
15072 |
P2_1/c (14) |
✔ |
20 |
112 |
3 |
2.2283 |
2.259 |
0.000 |
(0;000) |
✗ |
06/10/16 |
PtF4 |
ICSD |
71579 |
F2dd (43) |
✗ |
10 |
76 |
3 |
1.3016 |
1.324 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BeO |
ICSD |
601160 |
P6_3mc (186) |
✗ |
4 |
20 |
1 |
7.4832 |
7.483 |
0.000 |
(0;000) |
✗ |
06/10/16 |
SiF4 |
ICSD |
14122 |
I-43m (217) |
✗ |
5 |
32 |
1 |
8.056 |
8.625 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiI3 |
ICSD |
187607 |
P2_1/c (14) |
✔ |
16 |
104 |
2 |
0.6786 |
0.679 |
0.000 |
(0;000) |
✗ |
06/10/16 |
FeGe |
ICSD |
103492 |
P2_13 (198) |
✗ |
8 |
48 |
3 |
0.0653 |
0.087 |
0.000 |
(0;000) |
✔ |
06/10/16 |
AlCl3 |
ICSD |
39566 |
C2/m (12) |
✔ |
8 |
48 |
2 |
5.243 |
5.321 |
0.000 |
(0;000) |
✗ |
05/01/17 |
BePo |
ICSD |
58730 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.8057 |
1.059 |
0.000 |
(0;000) |
✗ |
06/10/16 |
TlCl2 |
ICSD |
4031 |
I4_1/a (88) |
✔ |
12 |
108 |
1 |
2.4354 |
2.536 |
0.000 |
(0;000) |
✗ |
02/02/17 |
AuCl2 |
ICSD |
201436 |
P-1 (2) |
✔ |
12 |
100 |
1 |
0.7861 |
1.208 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BBr3 |
ICSD |
173374 |
P2_1/m (11) |
✔ |
8 |
48 |
1 |
3.5823 |
3.889 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BCl3 |
ICSD |
24526 |
P2_1/m (11) |
✔ |
8 |
48 |
1 |
3.2389 |
3.347 |
0.000 |
(0;000) |
✗ |
06/10/16 |
FeS2 |
ICSD |
42726 |
P2nn (34) |
✗ |
6 |
40 |
3 |
0.7907 |
1.143 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BeSe |
ICSD |
183374 |
F-43m (216) |
✗ |
2 |
10 |
1 |
2.4499 |
4.314 |
0.000 |
(0;000) |
✗ |
06/10/16 |
AlF3 |
ICSD |
30274 |
R32 (155) |
✗ |
8 |
48 |
3 |
7.2936 |
7.295 |
0.000 |
(0;000) |
✗ |
06/10/16 |
FeSi |
ICSD |
36188 |
P2_13 (198) |
✗ |
8 |
48 |
3 |
0.1202 |
0.156 |
0.000 |
(0;000) |
✔ |
06/10/16 |
BI3 |
ICSD |
173375 |
P2_1/m (11) |
✔ |
8 |
48 |
1 |
2.4262 |
2.516 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BeTe |
ICSD |
183375 |
F-43m (216) |
✗ |
2 |
10 |
1 |
1.572 |
3.253 |
0.000 |
(0;000) |
✗ |
06/10/16 |
WBr6 |
ICSD |
62048 |
R-3 (148) |
✔ |
7 |
56 |
1 |
0.6302 |
0.630 |
0.000 |
(0;000) |
✗ |
02/02/17 |
BN |
ICSD |
162876 |
Pmnb (62) |
✔ |
8 |
32 |
3 |
5.9754 |
6.508 |
0.000 |
(0;000) |
✗ |
06/10/16 |
LaI3 |
ICSD |
31596 |
Cmcm (63) |
✔ |
8 |
48 |
2 |
1.1147 |
1.359 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GaN |
ICSD |
156260 |
F-43m (216) |
✗ |
2 |
18 |
3 |
1.9043 |
1.904 |
0.000 |
(0;000) |
✗ |
06/10/16 |
MoS2 |
ICSD |
24000 |
P6_3/mmc (194) |
✔ |
6 |
52 |
2 |
0.8501 |
1.709 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Be3N2 |
ICSD |
185490 |
R3m (160) |
✗ |
5 |
22 |
1 |
2.7756 |
3.816 |
0.000 |
(0;000) |
✗ |
06/10/16 |
PbO |
ICSD |
62846 |
P4/nmm (129) |
✔ |
4 |
40 |
2 |
1.1693 |
2.163 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GaP |
ICSD |
103795 |
F-43m (216) |
✗ |
2 |
18 |
3 |
1.5678 |
1.791 |
0.000 |
(0;000) |
✗ |
06/10/16 |
AlN |
ICSD |
181066 |
F-43m (216) |
✗ |
2 |
8 |
3 |
3.3052 |
4.020 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GaP |
ICSD |
190425 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
1.3812 |
1.457 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BNCl2 |
ICSD |
28168 |
R3 (146) |
✗ |
12 |
66 |
1 |
2.288 |
2.326 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Plotting...