| ▹ Formula |
▹ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▹ met. |
▹ ν |
wcc |
▴ updated |
| ZnS |
ICSD |
108733 |
F-43m (216) |
✗ |
2 |
18 |
3 |
2.0623 |
2.062 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnS |
ICSD |
184810 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
2.4085 |
2.409 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnS |
ICSD |
37373 |
R3m (160) |
✗ |
6 |
54 |
0 |
2.1341 |
2.134 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SiS2 |
ICSD |
16952 |
I-42d (122) |
✗ |
6 |
32 |
3 |
2.9532 |
3.090 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SnS2 |
ICSD |
43003 |
P6_3mc (186) |
✗ |
6 |
52 |
2 |
1.2053 |
1.498 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TiS2 |
ICSD |
79803 |
C2/m (12) |
✔ |
3 |
24 |
2 |
0.0 |
0.377 |
0.035 |
(0;000) |
✔ |
06/10/16 |
| WS2 |
ICSD |
202367 |
R3m (160) |
✗ |
3 |
26 |
2 |
0.8802 |
1.635 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| SrS3 |
ICSD |
23638 |
Cc2e (41) |
✗ |
8 |
56 |
1 |
1.0789 |
1.079 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| TiS3 |
ICSD |
42072 |
P2_1/m (11) |
✔ |
8 |
60 |
2 |
0.0 |
0.119 |
0.107 |
(0;000) |
✔ |
06/10/16 |
| TlSb |
ICSD |
184577 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.220 |
(0;000) |
✔ |
06/10/16 |
| ZnSe |
ICSD |
162755 |
F-43m (216) |
✗ |
2 |
18 |
3 |
1.1452 |
1.145 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnSe |
ICSD |
43595 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
1.1625 |
1.163 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZrSe3 |
ICSD |
25621 |
P2_1/m (11) |
✔ |
8 |
60 |
2 |
0.3234 |
0.610 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| Ti3Se4 |
ICSD |
601347 |
C2/m (12) |
✔ |
7 |
60 |
3 |
0.0 |
0.007 |
0.436 |
(1;110) |
✔ |
06/10/16 |
| SiSn |
ICSD |
184676 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.3735 |
1.360 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| Si2W |
ICSD |
652549 |
P6_222 (180) |
✗ |
9 |
66 |
3 |
0.0 |
0.481 |
0.083 |
(0;000) |
✔ |
06/10/16 |
| SnTe |
ICSD |
53956 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.0 |
0.063 |
0.313 |
(0;000) |
✔ |
06/10/16 |
| ZnTe |
ICSD |
104196 |
F-43m (216) |
✗ |
2 |
18 |
3 |
1.0183 |
1.018 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnTe |
ICSD |
184486 |
P3_121 (152) |
✗ |
6 |
54 |
3 |
0.2173 |
0.229 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| ZnTe |
ICSD |
184488 |
P6_422 (181) |
✗ |
6 |
54 |
3 |
0.6079 |
0.689 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnTe |
ICSD |
67779 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
1.1475 |
1.148 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZnTe |
ICSD |
80076 |
P3_1 (144) |
✗ |
6 |
54 |
3 |
0.2277 |
1.605 |
0.000 |
(0;000) |
✔ |
06/10/16 |
| BaAg |
ICSD |
260623 |
Pmnb (62) |
✔ |
8 |
84 |
3 |
0.0 |
0.001 |
0.353 |
(1;011) |
✗ |
06/10/16 |
| CaAg |
ICSD |
57352 |
Ccmm (63) |
✔ |
4 |
42 |
1 |
0.0 |
0.000 |
0.621 |
(0;110) |
✗ |
06/10/16 |
| AgCl |
ICSD |
56544 |
Ccmm (63) |
✔ |
4 |
36 |
3 |
0.6341 |
1.745 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| AgI |
ICSD |
28230 |
P4/nmm (129) |
✔ |
4 |
36 |
2 |
1.0238 |
1.024 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| Ag2S |
ICSD |
98452 |
P2_1/m (11) |
✔ |
6 |
56 |
1 |
0.0 |
0.020 |
0.267 |
(1;001) |
✗ |
06/10/16 |
| AlF3 |
ICSD |
36034 |
R-3 (148) |
✔ |
8 |
48 |
3 |
8.1649 |
8.165 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| HfAl |
ICSD |
107828 |
Ccmm (63) |
✔ |
4 |
30 |
3 |
0.0 |
0.000 |
0.904 |
(1;000) |
✗ |
06/10/16 |
| LaAl |
ICSD |
54470 |
Cmcm (63) |
✔ |
8 |
24 |
3 |
0.0 |
0.002 |
0.299 |
(1;110) |
✗ |
06/10/16 |
| Mn3Al |
ICSD |
181801 |
Fm-3m (225) |
✔ |
4 |
48 |
3 |
0.0 |
0.000 |
0.372 |
(1;000) |
✗ |
06/10/16 |
| AlN |
ICSD |
163951 |
Ccmm (63) |
✔ |
4 |
16 |
3 |
4.2953 |
5.458 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| ZrAl |
ICSD |
191011 |
Ccmm (63) |
✔ |
4 |
30 |
3 |
0.0 |
0.000 |
0.909 |
(1;000) |
✗ |
06/10/16 |
| Al2Cu |
ICSD |
107544 |
Fmmm (69) |
✔ |
6 |
34 |
3 |
0.0 |
0.013 |
0.904 |
(1;000) |
✗ |
06/10/16 |
| TiAl2 |
ICSD |
106252 |
Cmmm (65) |
✔ |
6 |
36 |
3 |
0.0 |
0.010 |
0.449 |
(1;110) |
✗ |
06/10/16 |
| CrAs |
ICSD |
23589 |
Pmnb (62) |
✔ |
8 |
76 |
3 |
0.0 |
0.000 |
0.426 |
(1;011) |
✗ |
06/10/16 |
| AsI3 |
ICSD |
23003 |
R-3 (148) |
✔ |
8 |
52 |
1 |
1.9506 |
2.019 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| MnAs |
ICSD |
16543 |
Pmnb (62) |
✔ |
8 |
80 |
3 |
0.0 |
0.004 |
0.326 |
(1;000) |
✗ |
06/10/16 |
| MoAs |
ICSD |
43188 |
Pmnb (62) |
✔ |
8 |
76 |
3 |
0.0 |
0.000 |
0.564 |
(0;011) |
✗ |
06/10/16 |
| AsRh |
ICSD |
42572 |
Pmnb (62) |
✔ |
8 |
88 |
3 |
0.0 |
0.044 |
0.380 |
(0;000) |
✗ |
06/10/16 |
| AsRu |
ICSD |
42577 |
Pmnb (62) |
✔ |
8 |
84 |
3 |
0.0 |
0.002 |
0.208 |
(0;011) |
✗ |
06/10/16 |
| CoAs2 |
ICSD |
610034 |
Pmnn (58) |
✔ |
6 |
38 |
3 |
0.0 |
0.000 |
0.925 |
(1;000) |
✗ |
06/10/16 |
| 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 |
| NiAs2 |
ICSD |
42116 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.0 |
0.031 |
0.445 |
(1;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 |
| CaAs3 |
ICSD |
193 |
P-1 (2) |
✔ |
8 |
50 |
1 |
0.0 |
0.060 |
0.008 |
(1;100) |
✗ |
06/10/16 |
| Mo5As4 |
ICSD |
43186 |
I4/m (87) |
✔ |
9 |
90 |
3 |
0.0 |
0.006 |
0.602 |
(1;000) |
✗ |
06/10/16 |
| BaAu |
ICSD |
419559 |
Pmnb (62) |
✔ |
8 |
84 |
3 |
0.0 |
0.005 |
0.453 |
(1;011) |
✗ |
06/10/16 |
| CdAu |
ICSD |
151398 |
Pmmb (51) |
✔ |
4 |
46 |
3 |
0.0 |
0.000 |
0.867 |
(1;000) |
✗ |
06/10/16 |
| GaAu |
ICSD |
58457 |
Pmnb (62) |
✔ |
8 |
96 |
3 |
0.0 |
0.094 |
0.370 |
(1;000) |
✗ |
06/10/16 |
| LaAu |
ICSD |
612099 |
Ccmm (63) |
✔ |
4 |
28 |
3 |
0.0 |
0.013 |
0.464 |
(1;000) |
✗ |
06/10/16 |
| AuN2 |
ICSD |
166465 |
Pmnn (58) |
✔ |
6 |
42 |
2 |
0.0 |
0.000 |
0.791 |
(0;101) |
✗ |
06/10/16 |
| VAu2 |
ICSD |
58614 |
Ccmm (63) |
✔ |
6 |
70 |
3 |
0.0 |
0.000 |
0.838 |
(0;000) |
✗ |
06/10/16 |
| 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 |
| Co2B |
ICSD |
30447 |
I4/mcm (140) |
✔ |
6 |
42 |
3 |
0.0 |
0.000 |
0.495 |
(1;111) |
✗ |
06/10/16 |
| CrB |
ICSD |
30603 |
Cmcm (63) |
✔ |
4 |
34 |
3 |
0.0 |
0.000 |
0.833 |
(0;110) |
✗ |
06/10/16 |
| Fe2B |
ICSD |
30446 |
I4/mcm (140) |
✔ |
6 |
38 |
3 |
0.0 |
0.001 |
0.527 |
(1;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 |
| LiB |
ICSD |
236961 |
Pbmm (51) |
✔ |
8 |
24 |
2 |
0.0 |
0.004 |
0.395 |
(0;001) |
✗ |
06/10/16 |
| BMo |
ICSD |
191907 |
Cmcm (63) |
✔ |
4 |
34 |
3 |
0.0 |
0.000 |
0.777 |
(0;110) |
✗ |
06/10/16 |
| BN |
ICSD |
162876 |
Pmnb (62) |
✔ |
8 |
32 |
3 |
5.9754 |
6.508 |
0.000 |
(0;000) |
✗ |
06/10/16 |
| NbB |
ICSD |
191899 |
Cmcm (63) |
✔ |
4 |
32 |
3 |
0.0 |
0.026 |
0.365 |
(1;000) |
✗ |
06/10/16 |
| NiB |
ICSD |
26937 |
Ccmm (63) |
✔ |
4 |
26 |
3 |
0.0 |
0.000 |
0.399 |
(0;110) |
✗ |
06/10/16 |
| Ni2B |
ICSD |
30448 |
I4/mcm (140) |
✔ |
6 |
46 |
3 |
0.0 |
0.001 |
0.838 |
(0;111) |
✗ |
06/10/16 |
| BPd2 |
ICSD |
10487 |
Pmnn (58) |
✔ |
6 |
46 |
3 |
0.0 |
0.000 |
0.880 |
(0;101) |
✗ |
06/10/16 |
| Re3B |
ICSD |
191913 |
Cmcm (63) |
✔ |
8 |
96 |
3 |
0.0 |
0.022 |
0.653 |
(1;000) |
✗ |
06/10/16 |
| TaB |
ICSD |
186194 |
Cmcm (63) |
✔ |
4 |
32 |
3 |
0.0 |
0.055 |
0.360 |
(1;000) |
✗ |
06/10/16 |
| TiB |
ICSD |
189386 |
Pmnb (62) |
✔ |
8 |
60 |
3 |
0.0 |
0.000 |
0.817 |
(0;011) |
✗ |
06/10/16 |
| VB |
ICSD |
42952 |
Cmcm (63) |
✔ |
4 |
32 |
3 |
0.0 |
0.019 |
0.325 |
(1;000) |
✗ |
06/10/16 |
| SrB6 |
ICSD |
50313 |
Pm-3m (221) |
✔ |
7 |
28 |
3 |
0.0 |
0.002 |
0.010 |
(1;111) |
✗ |
06/10/16 |
| BaGe |
ICSD |
52688 |
Cmcm (63) |
✔ |
4 |
28 |
1 |
0.0 |
0.011 |
0.146 |
(0;110) |
✗ |
06/10/16 |
| BaPb |
ICSD |
58664 |
Cmcm (63) |
✔ |
4 |
48 |
1 |
0.0 |
0.085 |
0.123 |
(0;110) |
✗ |
06/10/16 |
| BaSi |
ICSD |
191760 |
Cmcm (63) |
✔ |
4 |
28 |
1 |
0.0 |
0.020 |
0.547 |
(1;110) |
✗ |
06/10/16 |
| Be2Zn |
ICSD |
168955 |
Fmmm (69) |
✔ |
3 |
20 |
2 |
0.0 |
0.043 |
0.231 |
(1;000) |
✗ |
06/10/16 |
| Bi4I |
ICSD |
246145 |
C2/m (12) |
✔ |
20 |
108 |
3 |
0.0 |
0.059 |
0.855 |
(1;001) |
✗ |
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 |
| Ca2Bi |
ICSD |
42136 |
I4/mmm (139) |
✔ |
6 |
50 |
1 |
0.0 |
0.059 |
0.073 |
(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 |
| Hf2Bi |
ICSD |
168286 |
C2/m (12) |
✔ |
6 |
58 |
3 |
0.0 |
0.030 |
0.460 |
(0;110) |
✗ |
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 |
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 |
| BiI3 |
ICSD |
187609 |
Fm-3m (225) |
✔ |
4 |
26 |
3 |
0.0 |
0.002 |
0.318 |
(0;000) |
✗ |
06/10/16 |
| BiI3 |
ICSD |
187611 |
Pnam (62) |
✔ |
16 |
104 |
3 |
0.0 |
0.026 |
0.642 |
(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 |
| In2Bi |
ICSD |
1247 |
Ccmm (63) |
✔ |
6 |
62 |
3 |
0.0 |
0.000 |
0.715 |
(0;000) |
✗ |
06/10/16 |
| K3Bi |
ICSD |
26885 |
Ccmm (63) |
✔ |
8 |
84 |
1 |
0.0 |
0.006 |
0.037 |
(0;000) |
✗ |
06/10/16 |
| LaBi |
ICSD |
58795 |
Fm-3m (225) |
✔ |
2 |
8 |
3 |
0.0 |
0.065 |
0.181 |
(1;000) |
✗ |
06/10/16 |
| La2Bi |
ICSD |
616761 |
I4/mmm (139) |
✔ |
6 |
22 |
3 |
0.0 |
0.006 |
0.576 |
(1;111) |
✗ |
06/10/16 |
| MnBi |
ICSD |
192873 |
P6_3/mmc (194) |
✔ |
4 |
40 |
3 |
0.0 |
0.007 |
0.433 |
(0;000) |
✗ |
06/10/16 |
| Mn3Bi |
ICSD |
58808 |
R-3m (166) |
✔ |
16 |
200 |
3 |
4.8879 |
0.002 |
1.000 |
(0;000) |
✗ |
06/10/16 |
| NaBi |
ICSD |
58816 |
P4/mmm (123) |
✔ |
2 |
14 |
2 |
0.0 |
0.106 |
0.422 |
(1;000) |
✗ |
06/10/16 |
| Na3Bi |
ICSD |
26881 |
Ccmm (63) |
✔ |
8 |
84 |
1 |
0.0 |
0.029 |
0.008 |
(1;000) |
✗ |
06/10/16 |
Plotting...
