▹ Formula |
▴ Source |
▹ ID |
▹ space group |
▹ centered |
▹ nat |
▹ ne |
▹ dim |
▹ gap |
▹ dir. gap |
▹ met. |
▹ ν |
wcc |
▹ updated |
PtN2 |
ICSD |
290445 |
P-6m2 (187) |
✗ |
3 |
20 |
3 |
0.0 |
0.007 |
0.161 |
(1;100) |
✔ |
06/10/16 |
PtC |
ICSD |
181113 |
F-43m (216) |
✗ |
2 |
14 |
3 |
0.0 |
0.018 |
0.705 |
(1;000) |
✔ |
06/10/16 |
ScGa |
ICSD |
103954 |
Cmcm (63) |
✔ |
4 |
48 |
3 |
0.0 |
0.003 |
0.442 |
(1;000) |
✗ |
06/10/16 |
Li2Ga |
ICSD |
100051 |
Cmcm (63) |
✔ |
6 |
38 |
1 |
0.0 |
0.000 |
0.778 |
(1;110) |
✗ |
06/10/16 |
OsN2 |
ICSD |
290439 |
P-6m2 (187) |
✗ |
3 |
26 |
3 |
0.0 |
0.000 |
0.655 |
(0;100) |
✔ |
06/10/16 |
LaGa |
ICSD |
423623 |
Cmcm (63) |
✔ |
4 |
32 |
3 |
0.0 |
0.008 |
0.299 |
(1;000) |
✗ |
06/10/16 |
Fe2N |
ICSD |
150889 |
Pcnb (60) |
✔ |
12 |
84 |
3 |
0.0 |
0.001 |
0.653 |
(0;101) |
✗ |
06/10/16 |
NO2 |
ICSD |
28331 |
P2_1/c (14) |
✔ |
12 |
68 |
1 |
2.5717 |
2.624 |
0.000 |
(0;000) |
✗ |
27/01/17 |
PtC |
ICSD |
169405 |
P-6m2 (187) |
✗ |
2 |
14 |
3 |
0.0 |
0.012 |
0.443 |
(1;000) |
✔ |
06/10/16 |
CdAs2 |
ICSD |
16037 |
I4_122 (98) |
✗ |
6 |
44 |
3 |
0.2887 |
0.909 |
0.000 |
(0;000) |
✔ |
06/10/16 |
TiS |
ICSD |
52193 |
P-6m2 (187) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.159 |
(1;100) |
✔ |
04/10/16 |
Zr3Fe |
ICSD |
106700 |
Cmcm (63) |
✔ |
8 |
88 |
3 |
0.0 |
0.009 |
0.702 |
(1;000) |
✗ |
06/10/16 |
FeTe2 |
ICSD |
86518 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.0 |
0.691 |
0.013 |
(0;000) |
✗ |
06/10/16 |
NO2 |
ICSD |
164631 |
P2_1/m (11) |
✔ |
12 |
68 |
1 |
1.4082 |
1.460 |
0.000 |
(0;000) |
✗ |
06/10/16 |
GeS |
ICSD |
637785 |
Pmnb (62) |
✔ |
8 |
40 |
2 |
0.8942 |
1.214 |
0.000 |
(0;000) |
✗ |
06/10/16 |
FeSe2 |
ICSD |
25680 |
Pmnn (58) |
✔ |
6 |
40 |
3 |
0.2853 |
0.828 |
0.000 |
(0;000) |
✗ |
06/10/16 |
NO |
ICSD |
27871 |
P2_1/c (14) |
✔ |
8 |
44 |
1 |
0.0 |
0.002 |
0.048 |
(0;010) |
✔ |
27/01/17 |
PdC |
ICSD |
183174 |
F-43m (216) |
✗ |
2 |
14 |
3 |
0.0 |
0.000 |
0.717 |
(1;000) |
✔ |
06/10/16 |
FeSe |
ICSD |
182545 |
Cmme (67) |
✔ |
4 |
28 |
2 |
0.0 |
0.020 |
0.084 |
(0;000) |
✗ |
06/10/16 |
FeSb2 |
ICSD |
151397 |
Pmnn (58) |
✔ |
6 |
36 |
3 |
0.1637 |
0.361 |
0.000 |
(0;000) |
✗ |
06/10/16 |
YN |
ICSD |
161078 |
P6_3mc (186) |
✗ |
4 |
32 |
3 |
2.4206 |
2.723 |
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 |
FeS2 |
ICSD |
15012 |
Pa3 (205) |
✔ |
12 |
80 |
3 |
0.5231 |
0.568 |
0.000 |
(0;000) |
✗ |
06/10/16 |
YN |
ICSD |
161077 |
F-43m (216) |
✗ |
2 |
16 |
3 |
2.1509 |
2.167 |
0.000 |
(0;000) |
✗ |
06/10/16 |
OsC |
ICSD |
185996 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.0 |
0.341 |
0.015 |
(0;000) |
✔ |
06/10/16 |
TaAs |
ICSD |
44068 |
I4_1md (109) |
✗ |
4 |
36 |
3 |
0.0 |
0.041 |
0.008 |
(1;001) |
✔ |
06/10/16 |
FeP2 |
ICSD |
15027 |
Pmnn (58) |
✔ |
6 |
36 |
3 |
0.4006 |
0.861 |
0.000 |
(0;000) |
✗ |
06/10/16 |
FeO |
ICSD |
82236 |
R-3m (166) |
✔ |
2 |
14 |
3 |
0.0 |
0.086 |
0.246 |
(0;000) |
✗ |
06/10/16 |
VN |
ICSD |
236783 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.388 |
(1;000) |
✔ |
06/10/16 |
SF6 |
ICSD |
214 |
Im-3m (229) |
✔ |
7 |
48 |
1 |
8.4913 |
8.491 |
0.000 |
(0;000) |
✗ |
06/10/16 |
NiF3 |
ICSD |
87943 |
R-3 (148) |
✔ |
8 |
62 |
3 |
0.0 |
0.000 |
0.663 |
(0;000) |
✗ |
27/01/17 |
VN |
ICSD |
191061 |
P-6m2 (187) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.163 |
(1;100) |
✔ |
06/10/16 |
OsC |
ICSD |
169403 |
P-6m2 (187) |
✗ |
2 |
20 |
3 |
0.0 |
0.000 |
0.436 |
(0;100) |
✔ |
06/10/16 |
LaF3 |
ICSD |
167553 |
Pmmn (59) |
✔ |
8 |
48 |
3 |
6.5026 |
6.822 |
0.000 |
(0;000) |
✗ |
06/10/16 |
NiF2 |
ICSD |
34307 |
Pmnn (58) |
✔ |
6 |
48 |
3 |
0.0 |
0.017 |
0.293 |
(0;000) |
✗ |
06/10/16 |
TlN |
ICSD |
186556 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.0197 |
0.024 |
0.000 |
(1;000) |
✔ |
06/10/16 |
MgF2 |
ICSD |
51243 |
P-1 (2) |
✔ |
6 |
48 |
1 |
0.7823 |
1.004 |
0.000 |
(0;000) |
✗ |
06/10/16 |
MgF2 |
ICSD |
191439 |
Pmnn (58) |
✔ |
6 |
48 |
3 |
7.9375 |
7.938 |
0.000 |
(0;000) |
✗ |
06/10/16 |
TlN |
ICSD |
184575 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.012 |
0.003 |
(1;000) |
✔ |
06/10/16 |
CO2 |
ICSD |
188894 |
P4_12_12 (92) |
✗ |
12 |
64 |
1 |
2.6623 |
3.604 |
0.000 |
(0;000) |
✗ |
06/10/16 |
NiAs |
ICSD |
655881 |
Ccm2_1 (36) |
✗ |
4 |
30 |
3 |
0.0 |
0.000 |
0.753 |
(0;110) |
✔ |
06/10/16 |
SiPt3 |
ICSD |
246170 |
C2/m (12) |
✔ |
8 |
68 |
3 |
0.0 |
0.131 |
0.074 |
(0;000) |
✔ |
27/01/17 |
ZrCl |
ICSD |
868 |
C2/m (12) |
✔ |
4 |
38 |
2 |
0.0 |
0.064 |
0.228 |
(0;111) |
✔ |
04/10/16 |
TlF |
ICSD |
90992 |
Pmab (57) |
✔ |
8 |
80 |
2 |
2.8245 |
2.913 |
0.000 |
(0;000) |
✗ |
06/10/16 |
TlF |
ICSD |
30268 |
Fmmm (69) |
✔ |
2 |
20 |
1 |
1.7905 |
1.791 |
0.000 |
(0;000) |
✗ |
06/10/16 |
TcN |
ICSD |
167870 |
F-43m (216) |
✗ |
2 |
20 |
3 |
6.2963 |
0.005 |
1.000 |
(0;000) |
✗ |
06/10/16 |
TiCu3 |
ICSD |
107712 |
Pmmn (59) |
✔ |
8 |
90 |
3 |
0.0 |
0.000 |
0.795 |
(1;000) |
✗ |
27/01/17 |
Cu3Sn |
ICSD |
150503 |
Pmnm (59) |
✔ |
8 |
94 |
3 |
0.0 |
0.000 |
0.939 |
(0;000) |
✗ |
06/10/16 |
TaN |
ICSD |
644729 |
Cm2m (38) |
✗ |
6 |
54 |
3 |
0.0 |
0.000 |
0.288 |
(1;100) |
✔ |
06/10/16 |
CO2 |
ICSD |
188890 |
I-42d (122) |
✗ |
6 |
32 |
3 |
7.0217 |
7.119 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Cu3Sb |
ICSD |
628990 |
Pmnm (59) |
✔ |
8 |
76 |
3 |
0.0 |
0.012 |
0.233 |
(1;000) |
✗ |
06/10/16 |
Cu3Sb |
ICSD |
44479 |
Pmmn (59) |
✔ |
8 |
76 |
3 |
0.0 |
0.003 |
0.193 |
(1;000) |
✗ |
27/01/17 |
TaN |
ICSD |
644712 |
P-62m (189) |
✗ |
6 |
54 |
3 |
0.0 |
0.000 |
0.289 |
(0;100) |
✔ |
06/10/16 |
Cu3Ge |
ICSD |
86003 |
Pnmm (59) |
✔ |
8 |
74 |
3 |
0.0 |
0.000 |
0.913 |
(1;000) |
✗ |
06/10/16 |
ZrCu2 |
ICSD |
191405 |
Cmcm (63) |
✔ |
6 |
68 |
3 |
0.0 |
0.010 |
0.168 |
(1;000) |
✗ |
06/10/16 |
ScN |
ICSD |
236779 |
F-43m (216) |
✗ |
2 |
16 |
3 |
2.424 |
2.424 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CO |
ICSD |
26962 |
P2_13 (198) |
✗ |
8 |
40 |
1 |
6.4576 |
6.458 |
0.000 |
(0;000) |
✗ |
06/10/16 |
NbAs |
ICSD |
16585 |
I4_1md (109) |
✗ |
4 |
36 |
3 |
0.0 |
0.019 |
0.026 |
(0;101) |
✔ |
06/10/16 |
TiCu2 |
ICSD |
629379 |
Ccmm (63) |
✔ |
6 |
68 |
3 |
0.0 |
0.012 |
0.073 |
(1;000) |
✗ |
06/10/16 |
YCu |
ICSD |
185943 |
Pmnb (62) |
✔ |
8 |
88 |
3 |
0.0 |
0.006 |
0.197 |
(1;000) |
✗ |
06/10/16 |
RhN |
ICSD |
167872 |
F-43m (216) |
✗ |
2 |
22 |
3 |
0.0 |
0.031 |
0.689 |
(1;000) |
✔ |
06/10/16 |
GeS |
ICSD |
155418 |
Cmcm (63) |
✔ |
4 |
20 |
3 |
0.0 |
0.012 |
0.256 |
(0;000) |
✗ |
06/10/16 |
CuTe |
ICSD |
42592 |
Pmmn (59) |
✔ |
4 |
34 |
1 |
0.0 |
0.000 |
0.952 |
(1;010) |
✗ |
02/02/17 |
Re3N |
ICSD |
188352 |
P-6m2 (187) |
✗ |
4 |
50 |
3 |
0.0 |
0.000 |
0.675 |
(0;100) |
✔ |
06/10/16 |
CN2 |
ICSD |
247680 |
Cmc2_1 (36) |
✗ |
6 |
28 |
3 |
1.1333 |
1.133 |
0.000 |
(0;000) |
✗ |
06/10/16 |
CuSe2 |
ICSD |
242 |
Pmnn (58) |
✔ |
6 |
46 |
3 |
0.0 |
0.000 |
0.939 |
(0;000) |
✗ |
06/10/16 |
CuS2 |
ICSD |
628782 |
Pnnm (58) |
✔ |
6 |
46 |
3 |
0.0 |
0.000 |
0.970 |
(0;110) |
✗ |
27/01/17 |
OsN |
ICSD |
167513 |
Pmn2_1 (31) |
✗ |
4 |
42 |
3 |
0.0 |
0.000 |
0.868 |
(0;001) |
✔ |
06/10/16 |
CuO2 |
ICSD |
150913 |
Ccmm (63) |
✔ |
6 |
46 |
1 |
0.0 |
0.000 |
0.927 |
(0;110) |
✗ |
06/10/16 |
Cr2Se3 |
ICSD |
106520 |
R-3 (148) |
✔ |
10 |
92 |
3 |
0.0 |
0.011 |
0.356 |
(1;000) |
✗ |
06/10/16 |
NbN |
ICSD |
191062 |
P-6m2 (187) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.200 |
(0;100) |
✔ |
06/10/16 |
CN2 |
ICSD |
247678 |
I-4m2 (119) |
✗ |
3 |
14 |
3 |
0.1717 |
0.173 |
0.000 |
(0;000) |
✔ |
06/10/16 |
MnAs |
ICSD |
184925 |
F-43m (216) |
✗ |
2 |
20 |
3 |
0.0 |
0.038 |
0.075 |
(0;000) |
✔ |
06/10/16 |
SrP3 |
ICSD |
96543 |
C2/m (12) |
✔ |
8 |
50 |
1 |
0.0 |
0.036 |
0.065 |
(1;001) |
✔ |
27/01/17 |
Cr2S3 |
ICSD |
16721 |
R-3 (148) |
✔ |
10 |
92 |
3 |
0.0 |
0.013 |
0.353 |
(1;111) |
✗ |
06/10/16 |
CrTe |
ICSD |
93161 |
Pmnb (62) |
✔ |
8 |
80 |
3 |
0.0 |
0.004 |
0.470 |
(1;000) |
✗ |
06/10/16 |
NbN |
ICSD |
185442 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.0 |
0.008 |
0.291 |
(1;100) |
✔ |
06/10/16 |
CrSb2 |
ICSD |
246891 |
Pmnn (58) |
✔ |
6 |
48 |
3 |
0.0 |
0.000 |
0.365 |
(1;101) |
✗ |
06/10/16 |
CrP |
ICSD |
42079 |
Pmnb (62) |
✔ |
8 |
76 |
3 |
0.0 |
0.000 |
0.349 |
(1;011) |
✗ |
06/10/16 |
Si2Mo |
ICSD |
182116 |
P6_222 (180) |
✗ |
9 |
66 |
3 |
0.0485 |
0.512 |
0.000 |
(0;000) |
✔ |
06/10/16 |
CN2 |
ICSD |
247676 |
P-42_1m (113) |
✗ |
6 |
28 |
2 |
4.6848 |
4.993 |
0.000 |
(0;000) |
✗ |
06/10/16 |
Co2N |
ICSD |
152812 |
Pmnn (58) |
✔ |
6 |
46 |
3 |
0.0 |
0.000 |
0.848 |
(1;000) |
✗ |
06/10/16 |
Zr3Co |
ICSD |
102741 |
Cmcm (63) |
✔ |
8 |
90 |
3 |
0.0 |
0.000 |
0.848 |
(1;110) |
✗ |
06/10/16 |
BaPd |
ICSD |
616028 |
Cmcm (63) |
✔ |
4 |
56 |
2 |
0.0 |
0.065 |
0.082 |
(1;011) |
✗ |
05/01/17 |
CoTe2 |
ICSD |
25678 |
Pmnn (58) |
✔ |
6 |
42 |
3 |
0.0 |
0.000 |
0.783 |
(0;000) |
✗ |
06/10/16 |
CoSb2 |
ICSD |
624899 |
Pnnm (58) |
✔ |
6 |
54 |
3 |
0.0 |
0.000 |
0.933 |
(0;000) |
✗ |
27/01/17 |
MoSe2 |
ICSD |
16948 |
R3m (160) |
✗ |
3 |
26 |
0 |
0.8542 |
1.333 |
0.000 |
(0;000) |
✗ |
06/10/16 |
MoC |
ICSD |
618300 |
P-6m2 (187) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.384 |
(0;100) |
✔ |
06/10/16 |
InAs |
ICSD |
190427 |
P6_3mc (186) |
✗ |
4 |
36 |
3 |
0.0806 |
0.081 |
0.000 |
(0;000) |
✔ |
06/10/16 |
WCl6 |
ICSD |
26081 |
R-3 (148) |
✔ |
7 |
56 |
1 |
1.782 |
1.845 |
0.000 |
(0;000) |
✗ |
27/01/17 |
ICl3 |
ICSD |
24714 |
P-1 (2) |
✔ |
8 |
56 |
1 |
1.5447 |
1.545 |
0.000 |
(0;000) |
✗ |
06/10/16 |
MoS2 |
ICSD |
38401 |
R3m (160) |
✗ |
3 |
26 |
2 |
0.8476 |
1.670 |
0.000 |
(0;000) |
✗ |
06/10/16 |
VCl5 |
ICSD |
425146 |
P-1 (2) |
✔ |
12 |
96 |
1 |
0.3098 |
0.388 |
0.000 |
(0;000) |
✗ |
02/02/17 |
MoCl5 |
ICSD |
84620 |
P-1 (2) |
✔ |
12 |
98 |
1 |
0.0 |
0.021 |
0.413 |
(1;110) |
✗ |
06/10/16 |
MoO3 |
ICSD |
80577 |
P2_1/m (11) |
✔ |
8 |
64 |
2 |
2.3284 |
3.028 |
0.000 |
(0;000) |
✗ |
27/01/17 |
MoC |
ICSD |
183166 |
F-43m (216) |
✗ |
2 |
18 |
3 |
0.0 |
0.000 |
0.417 |
(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 |
OsCl4 |
ICSD |
1165 |
Cmmm (65) |
✔ |
5 |
44 |
1 |
0.0 |
0.322 |
0.353 |
(0;000) |
✗ |
06/10/16 |
MnN |
ICSD |
184928 |
P6_3mc (186) |
✗ |
4 |
40 |
3 |
0.0 |
0.027 |
0.121 |
(0;000) |
✔ |
06/10/16 |
TiCl3 |
ICSD |
38236 |
R-3 (148) |
✔ |
8 |
66 |
2 |
0.0 |
0.009 |
0.695 |
(0;000) |
✗ |
06/10/16 |
Plotting...