▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▴ met. |
▹ ν |
wcc |
▹ updated |
BaF2 |
ICSD |
41651 |
P6_3/mmc (194) |
✔ |
6 |
48 |
2 |
5.7976 |
6.002 |
0.000 |
(0;000) |
✗ |
05/01/17 |
GaSb |
ICSD |
190414 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3208 |
0.324 |
0.000 |
(0;000) |
✔ |
06/10/16 |
BiBr3 |
ICSD |
100294 |
C2/m (12) |
✔ |
8 |
72 |
2 |
2.0254 |
2.057 |
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 |
GaSe |
ICSD |
601159 |
P-6m2 (187) |
✗ |
8 |
76 |
2 |
1.0062 |
1.006 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiF3 |
ICSD |
25567 |
P-43m (215) |
✗ |
16 |
104 |
3 |
2.8752 |
2.876 |
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 |
InI |
ICSD |
55181 |
Cmcm (63) |
✔ |
4 |
40 |
3 |
0.7644 |
0.832 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Ga2O3 |
ICSD |
166198 |
C2/m (12) |
✔ |
10 |
88 |
3 |
2.4727 |
2.475 |
0.000 |
(0;000) |
✗ |
06/10/16 |
AlP |
ICSD |
190409 |
F-43m (216) |
✗ |
2 |
8 |
3 |
1.5188 |
3.480 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Ga2Se3 |
ICSD |
35028 |
Cc (9) |
✗ |
10 |
88 |
3 |
1.0285 |
1.029 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Bi2O3 |
ICSD |
168811 |
Fd-3m (227) |
✔ |
20 |
112 |
1 |
2.1934 |
2.260 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiBr |
ICSD |
1560 |
C2/m (12) |
✔ |
16 |
96 |
2 |
0.3125 |
0.313 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiBr3 |
ICSD |
100293 |
P2_1/c (14) |
✔ |
16 |
104 |
2 |
2.1184 |
2.183 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GeO2 |
ICSD |
16577 |
P3_221 (154) |
✗ |
9 |
48 |
3 |
3.7257 |
3.809 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Bi2S3 |
ICSD |
153946 |
Pmnb (62) |
✔ |
20 |
112 |
2 |
0.9478 |
0.980 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiF3 |
ICSD |
1269 |
Pbnm (62) |
✔ |
16 |
104 |
3 |
3.7081 |
3.709 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiF3 |
ICSD |
24522 |
Fm-3m (225) |
✔ |
4 |
26 |
3 |
2.9096 |
3.077 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiF5 |
ICSD |
25023 |
I4/m (87) |
✔ |
6 |
50 |
2 |
3.1288 |
3.527 |
0.000 |
(0;000) |
✗ |
05/01/17 |
GeO2 |
ICSD |
23783 |
P4_12_12 (92) |
✗ |
12 |
64 |
3 |
3.2366 |
3.237 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiI |
ICSD |
1558 |
C2/m (12) |
✔ |
16 |
96 |
1 |
0.1374 |
0.153 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiI |
ICSD |
1559 |
C2/m (12) |
✔ |
8 |
48 |
1 |
0.139 |
0.161 |
0.000 |
(0;001) |
✗ |
06/10/16 |
BiI3 |
ICSD |
187304 |
P-31m (162) |
✔ |
8 |
72 |
2 |
1.0725 |
1.073 |
0.000 |
(0;000) |
✗ |
02/02/17 |
BiI3 |
ICSD |
187305 |
R-3 (148) |
✔ |
8 |
52 |
2 |
1.454 |
1.544 |
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 |
GeS2 |
ICSD |
167194 |
I-42d (122) |
✗ |
6 |
32 |
3 |
2.3808 |
2.735 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GeSe2 |
ICSD |
50761 |
I-42d (122) |
✗ |
6 |
32 |
3 |
1.4346 |
1.788 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiI3 |
ICSD |
56570 |
R-3 (148) |
✔ |
8 |
72 |
2 |
1.1573 |
1.189 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GeSe2 |
ICSD |
90956 |
I-4 (82) |
✗ |
6 |
32 |
3 |
0.9941 |
1.393 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Bi2O3 |
ICSD |
168810 |
R3m (160) |
✗ |
10 |
56 |
2 |
2.2643 |
2.309 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GeSe2 |
ICSD |
90957 |
P-4 (81) |
✗ |
12 |
64 |
3 |
0.7241 |
0.727 |
0.000 |
(0;000) |
✔ |
10/10/16 |
PtO2 |
ICSD |
202407 |
Pmnn (58) |
✔ |
6 |
44 |
3 |
0.4791 |
0.746 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GeTe |
ICSD |
159907 |
R3m (160) |
✗ |
2 |
10 |
3 |
0.3876 |
0.455 |
0.000 |
(0;000) |
✔ |
06/10/16 |
LaCl3 |
ICSD |
23146 |
P2_1/m (11) |
✔ |
8 |
48 |
3 |
4.3718 |
4.372 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Bi2O3 |
ICSD |
168812 |
P-42_1c (114) |
✗ |
20 |
112 |
3 |
1.4533 |
1.453 |
0.000 |
(0;000) |
✗ |
06/10/16 |
MgCl2 |
ICSD |
51247 |
P-1 (2) |
✔ |
6 |
48 |
3 |
2.4906 |
2.491 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Bi2O3 |
ICSD |
169685 |
P31c (159) |
✗ |
20 |
112 |
3 |
1.2724 |
1.273 |
0.000 |
(0;000) |
✗ |
06/10/16 |
InBr |
ICSD |
23126 |
Ccmm (63) |
✔ |
4 |
40 |
3 |
1.3218 |
1.469 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CuH |
ICSD |
44859 |
P6_3mc (186) |
✗ |
4 |
24 |
3 |
0.5757 |
1.488 |
0.000 |
(0;000) |
✗ |
06/10/16 |
MnP4 |
ICSD |
100786 |
P-1 (2) |
✔ |
10 |
70 |
3 |
0.3988 |
0.496 |
0.000 |
(0;000) |
✗ |
06/10/16 |
SiH8 |
ICSD |
169739 |
I-4m2 (119) |
✗ |
9 |
12 |
1 |
6.0135 |
6.275 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GeO2 |
ICSD |
158598 |
Pmnn (58) |
✔ |
6 |
32 |
3 |
3.2329 |
3.286 |
0.000 |
(0;000) |
✗ |
06/10/16 |
AlSb |
ICSD |
151218 |
F-43m (216) |
✗ |
2 |
8 |
3 |
0.9754 |
1.422 |
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 |
HfS3 |
ICSD |
42074 |
P2_1/m (11) |
✔ |
8 |
60 |
2 |
1.1644 |
1.205 |
0.000 |
(0;000) |
✗ |
27/01/17 |
AlPO4 |
ICSD |
280773 |
P2_1 (4) |
✗ |
12 |
64 |
3 |
5.6822 |
5.682 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Bi2O3 |
ICSD |
422451 |
P6_3mc (186) |
✗ |
20 |
112 |
3 |
1.424 |
1.583 |
0.000 |
(0;000) |
✗ |
06/10/16 |
FeS2 |
ICSD |
42415 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.8069 |
1.148 |
0.000 |
(0;000) |
✗ |
06/10/16 |
HgI2 |
ICSD |
22242 |
Ccm2_1 (36) |
✗ |
6 |
52 |
2 |
1.8395 |
1.994 |
0.000 |
(0;000) |
✗ |
06/10/16 |
BiTeCl |
ICSD |
79362 |
P6_3mc (186) |
✗ |
6 |
36 |
2 |
0.264 |
0.280 |
0.000 |
(0;000) |
✔ |
06/10/16 |
Plotting...