instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: Mg2SnN2.
The XRD pattern shows main peaks at: 13.4°(0.65), 17.8°(0.17), 23.6°(0.28), 25.7°(1.0), 27.0°(0.14), 33.7°(0.77), 34.9°(0.75), 37.1°(0.49), 37.5°(0.52), 38.2°(0.17), 38.7°(0.13), 40.9°(0.19), 44.5°(0.3), 46.7°(0.12), 50.6°(0.22), 52.1°(0.11), 55.4°(0.35), 59.5°(0.23), 66.7°(0.11), 73.7... | JVASP-11529 | 4.07 5.67 7.03
108 89 111
Mg 0.321 0.667 0.478
Mg 0.654 0.334 0.520
Mg 0.981 0.982 0.296
Mg 0.999 0.018 0.703
Sn 0.725 0.339 0.078
Sn 0.387 0.662 0.920
N 0.821 0.669 0.412
N 0.152 0.331 0.586
N 0.468 0.967 0.779
N 0.501 0.033 0.219 |
Below is a description of a material. | The chemical formula is: Y3I.
The XRD pattern shows main peaks at: 31.4°(1.0), 33.6°(0.2), 37.8°(0.27), 51.4°(0.24), 54.5°(0.09), 58.7°(0.15), 64.2°(0.24), 65.5°(0.11), 82.9°(0.06), 84.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185259 | 4.77 4.77 6.31
112 112 90
Y 0.250 0.750 0.500
Y 0.750 0.250 0.500
Y 0.500 0.500 -0.000
I -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Li5Mn3O8.
The XRD pattern shows main peaks at: 9.2°(0.33), 18.0°(0.11), 18.5°(1.0), 19.6°(0.08), 20.9°(0.09), 27.9°(0.05), 36.9°(0.32), 44.5°(0.56), 48.7°(0.06), 58.3°(0.09), 63.7°(0.07), 64.2°(0.07), 65.5°(0.17), 82.8°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-121446 | 2.85 4.95 9.72
85 81 89
Li 0.108 0.395 0.784
Li 0.892 0.605 0.216
Li 0.614 0.874 0.772
Li 0.386 0.126 0.228
Li 0.500 0.500 -0.000
Mn 0.000 0.000 0.000
Mn 0.750 0.250 0.500
Mn 0.250 0.750 0.500
O 0.556 0.175 0.888
O 0.305 0.434 0.390
O 0.059 0.715 0.882
O 0.804 0.932 0.392
O 0.695 0.566 0.610
O 0.444 0.825 0.112
O 0.196... |
Below is a description of a material. | The chemical formula is: Ba4FePt.
The XRD pattern shows main peaks at: 16.3°(0.12), 18.8°(0.07), 26.7°(0.23), 31.4°(1.0), 32.8°(0.39), 38.1°(0.06), 47.1°(0.1), 50.2°(0.35), 55.0°(0.3), 64.7°(0.12), 65.5°(0.16), 77.6°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66615 | 6.68 6.68 6.68
60 60 60
Ba 0.124 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.124 0.625
Ba 0.625 0.625 0.124
Fe 0.250 0.250 0.250
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaBePt2.
The XRD pattern shows main peaks at: 12.6°(1.0), 32.2°(0.63), 38.4°(0.14), 39.3°(0.79), 42.3°(0.35), 44.3°(0.19), 49.2°(0.09), 52.1°(0.07), 58.5°(0.17), 61.3°(0.12), 62.9°(0.07), 69.2°(0.12), 71.0°(0.14), 74.5°(0.11), 75.3°(0.24), 84.6°(0.08).
Generate atomic structure description with... | JVASP-67581 | 3.02 3.02 7.03
90 90 90
Na 0.500 0.500 0.745
Be 0.000 0.000 0.410
Pt 0.000 0.000 0.034
Pt 0.500 0.500 0.311 |
Below is a description of a material. | The chemical formula is: TaNiB.
The XRD pattern shows main peaks at: 26.8°(0.31), 27.9°(0.62), 32.2°(0.54), 40.0°(0.49), 40.8°(1.0), 43.7°(0.88), 45.3°(0.45), 50.8°(0.26), 55.7°(0.21), 60.4°(0.16), 63.6°(0.08), 64.2°(0.17), 65.8°(0.15), 67.8°(0.11), 70.8°(0.27), 75.4°(0.06), 77.5°(0.32), 78.8°(0.13), 86.8°(0.12), 89.6°... | JVASP-93772 | 3.06 3.30 6.86
103 90 90
Ta 0.750 0.099 0.198
Ta 0.250 0.901 0.802
Ni 0.750 0.296 0.592
Ni 0.250 0.704 0.408
B 0.750 0.466 0.931
B 0.250 0.534 0.069 |
Below is a description of a material. | The chemical formula is: YWF5.
The XRD pattern shows main peaks at: 16.6°(0.24), 20.9°(0.89), 24.8°(1.0), 26.1°(0.59), 32.7°(0.47), 33.7°(0.31), 35.4°(0.18), 42.5°(0.22), 42.9°(0.21), 45.3°(0.3), 48.2°(0.2), 49.8°(0.3), 50.4°(0.31), 50.9°(0.17), 53.7°(0.08), 55.6°(0.16), 62.0°(0.13), 63.8°(0.19).
Generate atomic struct... | JVASP-8383 | 4.21 5.85 5.85
71 68 68
Y 0.500 0.500 0.500
W 0.000 0.000 0.000
F 0.500 0.827 0.173
F 0.500 0.173 0.827
F 0.756 0.244 0.244
F 0.244 0.756 0.756
F -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgZn2Pd3.
The XRD pattern shows main peaks at: 8.7°(0.13), 26.2°(0.08), 30.2°(0.11), 40.4°(1.0), 43.3°(0.38), 62.8°(0.13), 77.4°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194717 | 2.96 2.96 10.20
90 90 90
Mg 0.500 0.500 0.500
Zn 0.500 0.500 0.837
Zn 0.500 0.500 0.163
Pd 0.000 0.000 0.000
Pd 0.000 -0.000 0.677
Pd -0.000 0.000 0.323 |
Below is a description of a material. | The chemical formula is: AsRuBr.
The XRD pattern shows main peaks at: 10.3°(0.45), 31.3°(0.37), 32.5°(1.0), 34.2°(0.1), 42.2°(0.13), 45.7°(0.49), 46.6°(0.37), 54.2°(0.23), 57.2°(0.26), 64.6°(0.13), 68.0°(0.12), 76.8°(0.1), 77.4°(0.16), 83.4°(0.06), 85.8°(0.16).
Generate atomic structure description with lattice lengths... | JVASP-135641 | 2.76 2.76 8.57
90 90 90
As 0.000 0.000 0.279
Ru 0.000 0.000 -0.000
Br 0.000 0.000 0.698 |
Below is a description of a material. | The chemical formula is: LaCrSe2O.
The XRD pattern shows main peaks at: 24.3°(0.24), 25.2°(0.27), 29.6°(0.09), 30.8°(0.24), 31.9°(0.9), 32.8°(0.34), 34.5°(1.0), 37.3°(0.13), 39.6°(0.11), 40.2°(0.18), 42.0°(0.18), 47.1°(0.32), 50.4°(0.3), 56.1°(0.13), 57.3°(0.08), 58.1°(0.13), 58.8°(0.15), 59.7°(0.31), 63.4°(0.12), 77.9... | JVASP-170149 | 3.86 8.70 11.61
90 90 90
La 0.750 0.952 0.859
La 0.250 0.048 0.141
La 0.250 0.548 0.359
La 0.750 0.452 0.641
Cr 0.750 0.823 0.528
Cr 0.250 0.177 0.472
Cr 0.250 0.677 0.028
Cr 0.750 0.323 0.972
Se 0.750 0.747 0.171
Se 0.250 0.253 0.829
Se 0.250 0.753 0.671
Se 0.750 0.247 0.329
Se 0.750 0.594 0.897
Se 0.250 0.406 0.103
S... |
Below is a description of a material. | The chemical formula is: ZnCd3Se4.
The XRD pattern shows main peaks at: 25.4°(1.0), 42.1°(0.75), 49.8°(0.43), 61.1°(0.12), 67.3°(0.16), 77.0°(0.23), 82.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163921 | 6.07 6.07 6.07
90 90 90
Zn 0.000 0.000 0.000
Cd 0.000 0.500 0.500
Cd 0.500 0.500 0.000
Cd 0.500 0.000 0.500
Se 0.762 0.762 0.238
Se 0.762 0.238 0.762
Se 0.238 0.762 0.762
Se 0.238 0.238 0.238 |
Below is a description of a material. | The chemical formula is: ErPt5.
The XRD pattern shows main peaks at: 19.3°(0.24), 27.8°(0.12), 33.7°(0.18), 39.4°(1.0), 40.3°(0.35), 44.2°(0.48), 53.5°(0.1), 57.4°(0.18), 64.1°(0.24), 70.8°(0.2), 72.6°(0.17), 75.9°(0.09), 84.8°(0.24), 87.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-93309 | 4.48 5.32 5.32
119 90 90
Er 0.000 0.000 0.000
Pt 0.500 0.500 0.500
Pt 0.500 -0.000 0.500
Pt 0.500 0.500 -0.000
Pt 0.000 0.667 0.333
Pt 0.000 0.333 0.667 |
Below is a description of a material. | The chemical formula is: SrAgPt.
The XRD pattern shows main peaks at: 19.8°(0.21), 30.2°(0.45), 34.6°(1.0), 36.3°(0.1), 46.5°(0.85), 62.0°(0.17), 62.7°(0.06), 70.4°(0.23), 72.9°(0.11), 73.6°(0.22), 80.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118001 | 5.19 5.19 2.96
90 90 120
Sr 0.667 0.333 0.000
Ag 0.000 0.000 0.000
Pt 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: KTlHg2.
The XRD pattern shows main peaks at: 13.7°(0.15), 15.6°(0.39), 26.7°(0.11), 27.5°(0.53), 28.2°(0.56), 29.5°(1.0), 37.5°(0.14), 39.8°(0.41), 40.8°(0.77), 43.7°(0.09), 50.7°(0.22), 53.1°(0.1), 58.7°(0.27), 60.8°(0.12), 61.2°(0.13), 65.7°(0.1), 68.4°(0.16).
Generate atomic structure descri... | JVASP-80619 | 12.96 7.41 7.41
50 29 29
K 0.000 0.000 0.000
Tl 0.500 0.000 -0.000
Hg 0.737 -0.000 -0.000
Hg 0.263 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BePBr2.
The XRD pattern shows main peaks at: 13.4°(0.05), 25.1°(0.55), 27.0°(0.61), 31.7°(0.33), 37.2°(1.0), 42.1°(0.14), 49.6°(0.22), 54.7°(0.37), 55.7°(0.07), 56.4°(0.13), 57.4°(0.28), 60.1°(0.1), 67.1°(0.07), 72.8°(0.06), 77.8°(0.12), 79.2°(0.11), 84.6°(0.18).
Generate atomic structure descr... | JVASP-71705 | 7.09 7.09 7.09
149 149 43
Be 0.750 0.250 0.500
P 0.500 0.500 0.000
Br 0.000 0.000 0.000
Br 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Er2GePd.
The XRD pattern shows main peaks at: 25.5°(0.1), 36.3°(1.0), 52.3°(0.18), 65.4°(0.38), 77.2°(0.11), 88.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161294 | 4.94 4.94 4.94
60 60 60
Er 0.000 0.000 0.000
Er 0.500 0.500 0.500
Ge 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: KAuSe.
The XRD pattern shows main peaks at: 17.6°(1.0), 22.0°(0.17), 25.6°(0.07), 27.7°(0.52), 31.6°(0.64), 34.3°(0.41), 35.7°(0.07), 36.2°(0.17), 38.6°(0.06), 43.6°(0.11), 44.7°(0.43), 45.1°(0.26), 51.5°(0.16), 53.6°(0.14), 56.8°(0.1), 59.0°(0.09), 60.5°(0.07), 61.4°(0.12), 68.4°(0.11), 83.7°(... | JVASP-3063 | 5.16 5.16 6.85
90 90 102
K 0.364 0.636 0.750
K 0.636 0.364 0.250
Au 0.000 0.000 0.000
Au 0.000 0.000 0.500
Se 0.781 0.219 0.750
Se 0.219 0.781 0.250 |
Below is a description of a material. | The chemical formula is: Ce2Al2Co15.
The XRD pattern shows main peaks at: 25.8°(0.13), 30.7°(0.27), 37.5°(0.26), 38.6°(0.3), 43.7°(1.0), 44.3°(0.27), 49.2°(0.24), 80.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11442 | 6.31 6.31 6.31
82 82 82
Ce 0.646 0.646 0.646
Ce 0.354 0.354 0.354
Al 0.106 0.106 0.106
Al 0.894 0.894 0.894
Co 0.351 0.351 0.853
Co 0.000 -0.000 0.500
Co 0.500 -0.000 0.000
Co -0.000 0.500 -0.000
Co 0.287 0.713 0.000
Co 0.713 0.000 0.287
Co 0.713 0.287 -0.000
Co 0.853 0.351 0.351
Co 0.287 -0.000 0.713
Co 0.649 0.147 0.... |
Below is a description of a material. | The chemical formula is: U3Mn.
The XRD pattern shows main peaks at: 16.5°(0.13), 18.7°(0.16), 25.1°(0.27), 33.4°(0.16), 34.9°(1.0), 36.0°(0.07), 38.0°(0.57), 38.6°(0.88), 39.9°(0.65), 50.0°(0.1), 51.5°(0.1), 52.5°(0.63), 63.5°(0.12), 64.1°(0.45), 69.0°(0.16), 69.9°(0.14), 73.4°(0.08), 76.4°(0.16), 76.8°(0.26), 89.3°(0.... | JVASP-123500 | 2.93 5.36 4.74
90 90 90
U 0.500 0.401 0.250
U 0.500 0.608 0.750
U 0.000 0.930 0.250
Mn 0.000 0.061 0.750 |
Below is a description of a material. | The chemical formula is: GaPO4.
The XRD pattern shows main peaks at: 22.3°(1.0), 25.5°(0.07), 28.9°(0.15), 31.9°(0.25), 36.5°(0.21), 38.9°(0.08), 43.1°(0.11), 43.8°(0.06), 47.8°(0.06), 49.4°(0.1), 55.0°(0.05), 61.2°(0.05), 62.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-34292 | 4.92 4.92 6.83
90 90 90
Ga 0.822 0.822 0.750
Ga 0.178 0.178 0.250
P 0.326 0.674 0.000
P 0.674 0.326 0.500
O 0.816 0.223 0.312
O 0.184 0.777 0.812
O 0.777 0.184 0.688
O 0.728 0.634 0.527
O 0.223 0.816 0.188
O 0.634 0.728 0.973
O 0.366 0.272 0.473
O 0.272 0.366 0.027 |
Below is a description of a material. | The chemical formula is: Mg3Ti.
The XRD pattern shows main peaks at: 16.1°(0.05), 23.1°(0.09), 32.6°(0.09), 33.3°(0.31), 36.4°(0.4), 37.4°(0.57), 38.1°(1.0), 50.1°(0.17), 58.6°(0.18), 60.0°(0.08), 66.2°(0.1), 66.6°(0.17), 71.0°(0.18), 72.2°(0.1), 72.9°(0.15).
Generate atomic structure description with lattice lengths, ... | JVASP-90563 | 4.94 6.17 5.50
90 90 90
Mg 0.000 0.248 0.665
Mg 0.000 0.500 0.162
Mg 0.000 0.752 0.665
Mg 0.500 0.000 0.838
Mg 0.500 0.252 0.335
Mg 0.500 0.748 0.335
Ti 0.000 0.000 0.150
Ti 0.500 0.500 0.850 |
Below is a description of a material. | The chemical formula is: BaAg2SnS4.
The XRD pattern shows main peaks at: 16.3°(0.1), 16.8°(0.06), 24.5°(0.26), 25.9°(0.23), 28.2°(1.0), 29.9°(0.09), 35.2°(0.12), 36.0°(0.46), 43.6°(0.09), 45.5°(0.27), 47.1°(0.27), 48.1°(0.1), 50.3°(0.07), 52.1°(0.08), 53.2°(0.07), 57.5°(0.12), 59.4°(0.06), 60.0°(0.09), 70.2°(0.07), 80.... | JVASP-149765 | 6.46 6.46 6.46
115 111 101
Ba 0.000 0.000 0.000
Ag 0.313 0.813 0.500
Ag 0.687 0.187 0.500
Sn 0.500 0.500 0.000
S 0.478 0.876 0.010
S 0.522 0.532 0.398
S 0.866 0.468 0.990
S 0.134 0.124 0.602 |
Below is a description of a material. | The chemical formula is: Tc.
The XRD pattern shows main peaks at: 37.7°(0.08), 39.1°(0.44), 41.0°(0.34), 43.1°(1.0), 49.2°(0.23), 65.9°(0.09), 68.0°(0.2), 82.6°(0.26), 84.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25358 | 2.76 2.76 8.81
90 90 120
Tc 0.000 0.000 0.000
Tc 0.333 0.667 0.250
Tc 0.000 0.000 0.500
Tc 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Cr3O2.
The XRD pattern shows main peaks at: 10.3°(0.84), 20.8°(0.4), 31.4°(0.09), 37.3°(0.06), 41.7°(1.0), 42.2°(0.22), 48.3°(0.38), 51.4°(0.44), 52.6°(0.06), 56.0°(0.08), 68.7°(0.19), 75.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179904 | 2.51 2.51 8.56
90 90 90
Cr 0.500 0.500 0.264
Cr -0.000 0.000 0.500
Cr 0.500 0.500 0.736
O -0.000 -0.000 0.829
O 0.000 0.000 0.171 |
Below is a description of a material. | The chemical formula is: HgF3.
The XRD pattern shows main peaks at: 27.0°(1.0), 31.3°(0.5), 44.8°(0.8), 53.1°(0.5), 55.6°(0.13), 65.2°(0.12), 71.9°(0.17), 74.1°(0.2), 82.6°(0.25), 88.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110428 | 4.05 4.05 4.05
60 60 60
Hg 0.000 0.000 0.000
F 0.250 0.250 0.250
F 0.750 0.750 0.750
F 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TiBe2Sn.
The XRD pattern shows main peaks at: 13.7°(0.8), 27.7°(0.17), 29.8°(0.15), 32.9°(1.0), 41.1°(0.7), 42.1°(0.17), 42.6°(0.38), 45.0°(0.19), 51.6°(0.12), 52.4°(0.07), 61.4°(0.23), 61.8°(0.13), 63.6°(0.07), 65.8°(0.12), 69.0°(0.06), 71.8°(0.21), 73.8°(0.07), 76.9°(0.22), 77.6°(0.12), 81.2°... | JVASP-67005 | 3.00 3.00 6.44
90 90 90
Ti 0.500 0.500 0.797
Be 0.000 0.000 0.050
Be 0.500 0.500 0.179
Sn 0.000 0.000 0.475 |
Below is a description of a material. | The chemical formula is: Tl3Zn.
The XRD pattern shows main peaks at: 20.1°(0.09), 33.2°(1.0), 39.1°(0.05), 47.6°(0.2), 59.2°(0.39), 69.6°(0.13), 79.3°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37640 | 5.40 5.40 5.40
60 60 60
Tl 0.250 0.250 0.250
Tl 0.000 0.000 0.000
Tl 0.500 0.500 0.500
Zn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: GaHg3.
The XRD pattern shows main peaks at: 21.5°(0.1), 33.4°(1.0), 37.8°(0.18), 39.2°(0.3), 55.6°(0.22), 56.7°(0.11), 65.5°(0.15), 67.4°(0.25), 70.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102931 | 5.76 5.76 5.76
133 133 68
Ga 0.000 0.000 0.000
Hg 0.750 0.250 0.500
Hg 0.250 0.750 0.500
Hg 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: YbCo3.
The XRD pattern shows main peaks at: 21.2°(0.16), 22.3°(0.06), 33.7°(0.52), 36.6°(0.63), 42.6°(0.39), 43.2°(1.0), 45.2°(0.1), 45.6°(0.12), 47.0°(0.12), 58.3°(0.09), 64.0°(0.17), 65.8°(0.11), 67.3°(0.09), 70.4°(0.23), 77.7°(0.21).
Generate atomic structure description with lattice lengths... | JVASP-168148 | 4.92 4.92 8.45
73 73 59
Yb 0.142 0.142 0.575
Yb 0.858 0.858 0.425
Yb -0.000 -0.000 0.000
Co 0.079 0.583 0.755
Co 0.583 0.583 0.755
Co 0.583 0.079 0.755
Co 0.921 0.417 0.245
Co 0.417 0.417 0.245
Co 0.417 0.921 0.245
Co 0.334 0.334 0.997
Co 0.666 0.666 0.003
Co 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Be2NbRh.
The XRD pattern shows main peaks at: 29.5°(0.65), 31.6°(0.95), 43.7°(1.0), 45.2°(0.48), 54.9°(0.44), 61.2°(0.09), 65.9°(0.15), 70.5°(0.22), 73.8°(0.18), 74.9°(0.16), 79.3°(0.17), 82.5°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71442 | 2.84 2.84 6.06
90 90 90
Be 0.000 0.000 0.700
Be 0.000 0.000 0.300
Nb 0.500 0.500 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Tb5Ir3.
The XRD pattern shows main peaks at: 12.3°(0.09), 28.5°(0.15), 31.2°(0.06), 32.9°(0.12), 36.0°(1.0), 37.5°(0.36), 38.1°(0.06), 47.8°(0.15), 52.9°(0.11), 55.5°(0.16), 57.7°(0.06), 59.1°(0.08), 64.6°(0.05), 72.1°(0.13).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-154276 | 8.31 8.31 6.26
90 90 119
Tb 0.333 0.667 0.000
Tb 0.667 0.333 0.500
Tb 0.667 0.333 0.000
Tb 0.333 0.667 0.500
Tb 0.258 0.000 0.250
Tb 0.000 0.258 0.250
Tb 0.742 0.742 0.250
Tb 0.742 -0.000 0.750
Tb -0.000 0.742 0.750
Tb 0.258 0.258 0.750
Ir 0.610 0.000 0.250
Ir 0.000 0.610 0.250
Ir 0.390 0.390 0.250
Ir 0.390 -0.000 0.75... |
Below is a description of a material. | The chemical formula is: LiCuP2O6.
The XRD pattern shows main peaks at: 15.7°(0.06), 20.1°(0.23), 24.8°(0.84), 25.6°(1.0), 34.0°(0.06), 37.7°(0.24), 38.8°(0.06), 40.8°(0.1), 44.0°(0.1), 47.2°(0.13), 48.5°(0.21), 50.9°(0.07), 63.7°(0.06), 65.1°(0.14).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-52209 | 5.03 5.28 5.64
90 89 118
Li 0.000 0.000 0.667
Cu 0.500 1.000 0.667
P -0.000 0.500 0.337
P 0.500 0.500 0.996
O 0.669 0.776 0.862
O 0.107 0.776 0.472
O 0.271 0.542 0.167
O 0.729 0.458 0.167
O 0.893 0.224 0.472
O 0.331 0.224 0.861 |
Below is a description of a material. | The chemical formula is: DyAsS.
The XRD pattern shows main peaks at: 21.0°(0.09), 25.4°(0.88), 31.4°(0.08), 33.0°(0.22), 34.7°(0.57), 39.4°(1.0), 47.1°(0.22), 47.4°(0.21), 54.4°(0.17), 69.1°(0.14), 79.9°(0.05), 82.3°(0.1), 82.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-119401 | 3.83 3.86 16.95
90 90 90
Dy 0.250 0.763 0.146
Dy 0.250 0.737 0.646
Dy 0.750 0.237 0.854
Dy 0.750 0.263 0.354
As 0.750 0.778 0.499
As 0.750 0.722 0.999
As 0.250 0.222 0.501
As 0.250 0.278 0.001
S 0.250 0.761 0.313
S 0.250 0.739 0.813
S 0.750 0.239 0.687
S 0.750 0.261 0.187 |
Below is a description of a material. | The chemical formula is: AcNi2Ir2.
The XRD pattern shows main peaks at: 16.2°(0.08), 23.6°(0.11), 32.7°(0.18), 33.2°(0.24), 35.6°(1.0), 45.2°(0.37), 46.0°(0.09), 47.2°(0.14), 56.9°(0.17), 60.2°(0.16), 65.8°(0.11), 67.4°(0.09), 75.5°(0.07), 77.2°(0.23), 85.9°(0.11).
Generate atomic structure description with lattice len... | JVASP-155521 | 6.17 6.17 6.17
142 142 54
Ac 0.000 0.000 0.000
Ni 0.390 0.390 0.000
Ni 0.610 0.610 -0.000
Ir 0.750 0.250 0.500
Ir 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: BeGaSe.
The XRD pattern shows main peaks at: 14.1°(0.22), 23.9°(1.0), 27.8°(0.18), 28.4°(0.09), 34.1°(0.35), 37.0°(0.09), 37.4°(0.19), 43.1°(0.1), 44.9°(0.11), 48.9°(0.13), 49.9°(0.25), 55.2°(0.17), 56.0°(0.16), 57.5°(0.05), 63.2°(0.08), 67.2°(0.1), 72.5°(0.15), 81.8°(0.06).
Generate atomic str... | JVASP-134038 | 3.72 3.72 6.29
90 90 90
Be 0.000 0.000 0.314
Ga 0.000 0.000 0.648
Se 0.000 0.000 0.004 |
Below is a description of a material. | The chemical formula is: Nd2Co5Cu5.
The XRD pattern shows main peaks at: 22.1°(0.05), 30.2°(0.48), 35.4°(0.14), 36.1°(0.3), 41.4°(0.42), 42.1°(0.63), 42.7°(1.0), 45.0°(0.44), 47.4°(0.07), 48.1°(0.06), 58.5°(0.07), 59.0°(0.14), 60.3°(0.07), 61.6°(0.11), 62.8°(0.24), 63.4°(0.09), 68.5°(0.21), 74.8°(0.09), 81.0°(0.08), 81... | JVASP-144656 | 4.03 5.08 8.56
90 90 90
Nd 0.000 0.500 0.000
Nd 0.000 0.000 0.500
Co 0.000 0.500 0.349
Co 0.000 0.000 0.840
Co 0.000 0.000 0.160
Co 0.000 0.500 0.651
Co 0.500 0.500 0.500
Cu 0.500 0.000 0.000
Cu 0.500 0.750 0.252
Cu 0.500 0.250 0.748
Cu 0.500 0.250 0.252
Cu 0.500 0.750 0.748 |
Below is a description of a material. | The chemical formula is: Yb3K.
The XRD pattern shows main peaks at: 17.2°(0.13), 19.9°(0.07), 28.2°(1.0), 40.4°(0.21), 50.0°(0.47), 58.4°(0.14), 66.1°(0.19), 80.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100189 | 6.32 6.32 6.32
60 59 60
Yb 0.250 0.250 0.250
Yb 0.750 0.750 0.750
Yb 0.500 0.500 0.500
K 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ho3Pd2.
The XRD pattern shows main peaks at: 28.2°(0.11), 32.7°(0.37), 34.7°(1.0), 36.8°(0.53), 46.7°(0.17), 48.6°(0.08), 50.1°(0.05), 53.0°(0.07), 54.3°(0.11), 55.7°(0.09), 60.9°(0.23), 66.2°(0.09), 69.9°(0.16), 73.3°(0.05), 78.8°(0.09).
Generate atomic structure description with lattice lengt... | JVASP-21796 | 7.72 7.72 3.89
90 90 90
Ho 0.835 0.665 0.500
Ho 0.335 0.835 0.500
Ho 0.165 0.335 0.500
Ho 0.665 0.165 0.500
Ho 0.500 0.500 0.000
Ho 0.000 0.000 0.000
Pd 0.133 0.633 0.000
Pd 0.633 0.867 0.000
Pd 0.367 0.133 0.000
Pd 0.867 0.367 0.000 |
Below is a description of a material. | The chemical formula is: NaAs.
The XRD pattern shows main peaks at: 15.9°(0.55), 17.3°(0.6), 20.8°(0.63), 23.0°(1.0), 26.1°(0.46), 31.0°(0.62), 32.1°(0.87), 33.0°(0.38), 33.6°(0.48), 34.6°(0.78), 37.3°(0.54), 40.3°(0.66), 42.6°(0.15), 43.8°(0.75), 46.1°(0.19), 46.7°(0.21), 48.1°(0.61), 49.0°(0.15), 51.5°(0.19), 62.3°(0... | JVASP-153442 | 5.90 6.25 10.35
84 90 90
Na 0.609 0.109 0.670
Na 0.109 0.391 0.830
Na 0.391 0.891 0.330
Na 0.891 0.609 0.170
Na 0.337 0.800 0.967
Na 0.837 0.700 0.533
Na 0.663 0.200 0.033
Na 0.163 0.300 0.467
As 0.107 0.974 0.709
As 0.607 0.526 0.791
As 0.893 0.026 0.291
As 0.393 0.474 0.209
As 0.838 0.808 0.884
As 0.338 0.692 0.616
A... |
Below is a description of a material. | The chemical formula is: HoSb2.
The XRD pattern shows main peaks at: 10.5°(0.27), 30.0°(0.16), 30.5°(0.31), 31.8°(1.0), 35.7°(0.51), 36.9°(0.3), 42.8°(0.07), 44.3°(0.2), 52.7°(0.19), 53.2°(0.17), 55.3°(0.05), 56.2°(0.09), 58.8°(0.11), 61.8°(0.07), 62.4°(0.22), 68.6°(0.07), 69.1°(0.09), 71.7°(0.12), 80.3°(0.06), 88.1°(0... | JVASP-78816 | 3.39 3.56 8.45
90 90 118
Ho 0.000 0.000 0.000
Sb 0.000 0.500 0.703
Sb 0.500 0.500 0.297 |
Below is a description of a material. | The chemical formula is: Li2GaIr.
The XRD pattern shows main peaks at: 26.3°(0.41), 30.5°(1.0), 43.6°(0.85), 51.7°(0.1), 54.2°(0.25), 63.4°(0.15), 72.0°(0.35), 80.1°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56531 | 4.15 4.15 4.15
60 60 60
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
Ga 0.000 0.000 0.000
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Sn3Ge.
The XRD pattern shows main peaks at: 32.9°(1.0), 37.9°(0.34), 38.7°(0.15), 54.7°(0.12), 55.3°(0.23), 65.3°(0.29), 66.4°(0.13), 69.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110857 | 5.74 5.74 5.74
131 131 71
Sn 0.750 0.250 0.500
Sn 0.250 0.750 0.500
Sn 0.500 0.500 -0.000
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaLaSe.
The XRD pattern shows main peaks at: 9.7°(0.95), 19.5°(0.11), 25.8°(1.0), 27.6°(0.35), 29.4°(0.3), 32.5°(0.13), 36.8°(0.39), 38.1°(0.13), 39.5°(0.61), 42.0°(0.06), 47.8°(0.47), 53.0°(0.13), 54.0°(0.05), 55.1°(0.11), 59.9°(0.18), 60.8°(0.08), 61.8°(0.14), 68.1°(0.27), 74.2°(0.08), 85.7°(... | JVASP-116230 | 3.45 3.45 9.12
90 90 90
Na 0.000 0.000 0.049
La 0.000 0.000 0.446
Se 0.000 0.000 0.747 |
Below is a description of a material. | The chemical formula is: SrMgSn4.
The XRD pattern shows main peaks at: 17.2°(0.43), 28.3°(0.09), 33.3°(1.0), 34.8°(0.64), 40.4°(0.18), 44.2°(0.11), 53.3°(0.32), 58.5°(0.34), 61.5°(0.09), 69.0°(0.13), 69.9°(0.27), 76.2°(0.06), 83.1°(0.21), 87.4°(0.06).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-186832 | 6.31 6.31 6.31
60 60 60
Sr 0.750 0.750 0.750
Mg 0.000 0.000 -0.000
Sn 0.375 0.375 0.874
Sn 0.375 0.874 0.375
Sn 0.874 0.375 0.375
Sn 0.375 0.375 0.375 |
Below is a description of a material. | The chemical formula is: YBe2Ni.
The XRD pattern shows main peaks at: 14.0°(0.05), 28.2°(0.69), 30.4°(1.0), 33.6°(0.07), 42.0°(0.99), 43.6°(0.49), 52.7°(0.46), 58.3°(0.08), 63.3°(0.16), 67.2°(0.25), 70.7°(0.18), 71.9°(0.14), 75.5°(0.14), 78.9°(0.3).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-70154 | 2.94 2.94 6.33
90 90 90
Y 0.500 0.500 0.500
Be 0.000 0.000 0.833
Be 0.000 0.000 0.167
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NaMnAs.
The XRD pattern shows main peaks at: 12.2°(1.0), 26.2°(0.45), 32.8°(0.09), 33.9°(0.35), 35.1°(0.17), 41.4°(0.75), 44.2°(0.15), 47.1°(0.39), 48.9°(0.1), 50.4°(0.23), 54.7°(0.13), 56.0°(0.12), 59.3°(0.13), 64.2°(0.06), 66.6°(0.08), 68.8°(0.11), 76.1°(0.09), 83.6°(0.18).
Generate atomic st... | JVASP-17775 | 3.86 3.86 7.26
90 90 90
Na 0.000 0.500 0.644
Na 0.500 0.000 0.356
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.000
As 0.000 0.500 0.205
As 0.500 0.000 0.795 |
Below is a description of a material. | The chemical formula is: ZnWO4.
The XRD pattern shows main peaks at: 15.3°(0.1), 18.9°(0.36), 23.6°(0.38), 24.4°(0.42), 30.3°(1.0), 30.5°(0.98), 31.0°(0.2), 36.0°(0.41), 38.3°(0.17), 41.0°(0.19), 48.3°(0.14), 50.0°(0.13), 51.3°(0.26), 53.3°(0.29), 53.7°(0.2), 61.2°(0.13), 61.7°(0.12), 64.2°(0.21), 64.5°(0.24), 67.6°(0.... | JVASP-152652 | 5.77 4.70 4.97
89 90 90
Zn 0.678 0.500 0.250
Zn 0.322 0.500 0.750
W 0.181 0.000 0.250
W 0.819 0.000 0.750
O 0.106 0.783 0.935
O 0.106 0.217 0.565
O 0.894 0.217 0.065
O 0.894 0.783 0.435
O 0.376 0.743 0.403
O 0.376 0.257 0.097
O 0.624 0.257 0.597
O 0.624 0.743 0.903 |
Below is a description of a material. | The chemical formula is: AlF3.
The XRD pattern shows main peaks at: 18.8°(1.0), 24.5°(0.48), 30.4°(0.29), 42.2°(0.1), 48.6°(0.28), 50.3°(0.17), 54.1°(0.06), 55.1°(0.1), 58.6°(0.05), 72.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51430 | 3.63 5.27 5.93
63 89 89
Al 0.306 0.558 0.520
Al 0.306 0.828 0.983
F 0.306 0.193 0.752
F 0.306 0.693 0.752
F 0.806 0.831 -0.024
F 0.806 0.555 0.527
F 0.304 0.915 0.252
F 0.308 0.471 0.251 |
Below is a description of a material. | The chemical formula is: LiCaSb.
The XRD pattern shows main peaks at: 23.3°(0.19), 24.5°(0.71), 25.0°(1.0), 31.3°(0.1), 32.3°(0.71), 38.0°(0.41), 39.0°(0.25), 42.0°(0.24), 45.1°(0.18), 46.6°(0.25), 47.7°(0.1), 50.2°(0.1), 51.2°(0.07), 58.4°(0.13), 60.7°(0.12), 62.6°(0.19), 63.2°(0.08), 65.4°(0.13), 66.4°(0.07), 71.0°(0... | JVASP-11432 | 4.62 7.63 8.27
90 90 90
Li 0.750 0.848 0.427
Li 0.250 0.152 0.573
Li 0.250 0.652 0.927
Li 0.750 0.348 0.073
Ca 0.750 0.491 0.703
Ca 0.750 0.991 0.797
Ca 0.250 0.509 0.297
Ca 0.250 0.009 0.203
Sb 0.750 0.731 0.099
Sb 0.250 0.269 0.901
Sb 0.750 0.231 0.401
Sb 0.250 0.769 0.599 |
Below is a description of a material. | The chemical formula is: TiRe.
The XRD pattern shows main peaks at: 28.6°(0.45), 40.9°(1.0), 50.7°(0.14), 59.3°(0.17), 67.1°(0.18), 74.6°(0.33), 88.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20609 | 3.12 3.12 3.12
90 90 90
Ti 0.500 0.500 0.500
Re 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: B2Se.
The XRD pattern shows main peaks at: 16.5°(1.0), 27.7°(0.42), 32.4°(0.52), 33.2°(0.44), 37.3°(0.28), 43.8°(0.34), 47.1°(0.39), 47.8°(0.2), 51.0°(0.08), 56.1°(0.21), 59.1°(0.09), 60.0°(0.12), 62.2°(0.09), 67.9°(0.09), 69.5°(0.12), 70.3°(0.14), 77.7°(0.08), 79.0°(0.08), 86.1°(0.07), 89.6°(0... | JVASP-120842 | 5.37 2.70 3.22
90 90 90
B -0.070 0.000 0.753
B -0.070 0.000 0.247
Se 0.540 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeRuPd.
The XRD pattern shows main peaks at: 18.1°(0.15), 34.0°(0.74), 36.7°(0.29), 43.2°(1.0), 47.0°(0.47), 56.4°(0.07), 61.1°(0.27), 68.6°(0.15), 76.5°(0.24), 78.8°(0.12), 80.4°(0.12), 84.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180350 | 5.26 5.26 5.26
149 149 43
Be 0.001 0.001 -0.000
Ru 0.646 0.646 -0.000
Pd 0.353 0.353 0.000 |
Below is a description of a material. | The chemical formula is: MoCl4O.
The XRD pattern shows main peaks at: 15.1°(0.93), 21.4°(0.27), 24.8°(1.0), 33.0°(0.34), 34.2°(0.63), 39.7°(0.19), 43.7°(0.15), 45.5°(0.26), 46.5°(0.07), 48.2°(0.08), 49.2°(0.23), 50.9°(0.37), 58.2°(0.2), 60.5°(0.14), 65.0°(0.15), 65.7°(0.06), 69.2°(0.11), 76.1°(0.08), 83.6°(0.07), 89.6°... | JVASP-134539 | 6.19 6.19 6.19
95 95 142
Mo -0.011 -0.011 0.000
Cl 0.151 0.812 0.808
Cl 0.004 0.343 0.192
Cl 0.343 0.151 0.339
Cl 0.812 0.004 0.661
O 0.561 0.561 0.000 |
Below is a description of a material. | The chemical formula is: V2SO2.
The XRD pattern shows main peaks at: 29.4°(0.12), 30.8°(0.11), 34.2°(1.0), 43.1°(0.44), 44.7°(0.14), 54.8°(0.42), 55.3°(0.23), 63.4°(0.07), 66.2°(0.13), 69.8°(0.06), 72.1°(0.09), 73.3°(0.15), 81.6°(0.06), 86.8°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-183405 | 3.35 3.35 6.08
90 90 120
V 0.667 0.333 0.283
V 0.333 0.667 0.717
S 0.000 0.000 0.000
O 0.333 0.667 0.373
O 0.667 0.333 0.627 |
Below is a description of a material. | The chemical formula is: K2AlAuCl6.
The XRD pattern shows main peaks at: 15.3°(0.75), 17.6°(0.95), 25.1°(1.0), 29.5°(0.79), 35.7°(0.97), 39.1°(0.41), 40.1°(0.49), 44.1°(0.36), 47.0°(0.13), 51.4°(0.63), 54.8°(0.07), 64.2°(0.21), 75.7°(0.06), 86.6°(0.06).
Generate atomic structure description with lattice lengths, angles... | JVASP-99705 | 7.11 7.11 7.11
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Al 0.000 0.000 0.000
Au 0.500 0.500 0.500
Cl 0.767 0.233 0.233
Cl 0.233 0.233 0.767
Cl 0.233 0.767 0.767
Cl 0.233 0.767 0.233
Cl 0.767 0.233 0.767
Cl 0.767 0.767 0.233 |
Below is a description of a material. | The chemical formula is: Li2VPO4F.
The XRD pattern shows main peaks at: 17.7°(0.34), 18.1°(0.19), 22.3°(0.12), 26.2°(0.42), 26.9°(1.0), 27.6°(0.6), 33.4°(0.25), 35.7°(0.36), 36.6°(0.16), 39.9°(0.19), 41.5°(0.08), 42.1°(0.13), 43.6°(0.23), 44.6°(0.15), 52.8°(0.1), 53.5°(0.22), 54.0°(0.2), 54.8°(0.2), 59.6°(0.14), 70.2°(... | JVASP-178123 | 5.39 5.39 7.30
107 107 95
Li 0.026 0.722 0.343
Li 0.278 0.974 0.157
Li 0.978 0.400 0.935
Li 0.600 0.022 0.565
V 0.500 0.499 0.501
V 0.501 0.500 0.999
P 0.854 0.146 0.250
P 0.146 0.854 0.750
O 0.149 0.200 0.393
O 0.800 0.851 0.107
O 0.858 0.789 0.590
O 0.211 0.142 0.910
O 0.648 0.171 0.360
O 0.829 0.352 0.140
O 0.334 0.... |
Below is a description of a material. | The chemical formula is: CoPbO3.
The XRD pattern shows main peaks at: 20.7°(0.42), 29.1°(1.0), 33.2°(0.42), 34.9°(0.61), 38.5°(0.13), 40.9°(0.13), 46.1°(0.29), 47.6°(0.15), 48.4°(0.05), 49.0°(0.18), 59.1°(0.26), 61.0°(0.27), 61.6°(0.1), 62.7°(0.17), 73.8°(0.09), 82.9°(0.09).
Generate atomic structure description with l... | JVASP-169615 | 5.13 6.38 5.13
113 60 113
Co 0.334 0.003 0.334
Co 0.666 -0.003 0.666
Pb 0.121 0.362 0.121
Pb 0.879 0.638 0.879
O 0.059 0.186 0.459
O 0.459 0.186 0.668
O 0.668 0.186 0.059
O 0.332 0.814 0.941
O 0.541 0.814 0.332
O 0.941 0.814 0.541 |
Below is a description of a material. | The chemical formula is: MgP2Rh2.
The XRD pattern shows main peaks at: 19.3°(0.7), 31.1°(0.21), 36.9°(1.0), 39.2°(0.11), 44.6°(0.4), 49.0°(0.24), 50.9°(0.39), 60.8°(0.11), 64.8°(0.12), 68.4°(0.08), 69.6°(0.11), 77.0°(0.22), 78.1°(0.07), 86.8°(0.17).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-179634 | 5.42 5.42 5.42
135 135 64
Mg 0.000 0.000 -0.000
P 0.617 0.617 0.000
P 0.383 0.383 0.000
Rh 0.750 0.250 0.500
Rh 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: K2RbGaBr6.
The XRD pattern shows main peaks at: 15.6°(0.74), 27.2°(0.64), 31.5°(1.0), 35.4°(0.12), 45.2°(0.69), 56.2°(0.2), 65.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105618 | 8.02 8.02 8.02
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Rb 0.500 0.500 0.500
Ga 0.000 0.000 0.000
Br 0.776 0.224 0.224
Br 0.224 0.224 0.776
Br 0.224 0.776 0.776
Br 0.224 0.776 0.224
Br 0.776 0.224 0.776
Br 0.776 0.776 0.224 |
Below is a description of a material. | The chemical formula is: NiMoN.
The XRD pattern shows main peaks at: 23.6°(0.1), 38.7°(1.0), 43.2°(0.46), 48.2°(0.17), 62.8°(0.15), 66.8°(0.24), 76.3°(0.25), 82.9°(0.13), 83.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186874 | 2.96 2.96 3.77
90 90 90
Ni 0.500 0.500 0.500
Mo -0.000 0.000 -0.000
N 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: SrMg6Fe.
The XRD pattern shows main peaks at: 15.6°(0.68), 23.0°(0.39), 24.6°(0.25), 30.9°(0.79), 31.6°(0.43), 32.3°(0.51), 35.8°(0.39), 37.1°(1.0), 38.3°(0.4), 39.4°(0.11), 41.6°(0.11), 43.8°(0.15), 50.5°(0.23), 52.2°(0.18), 52.7°(0.11), 53.5°(0.22), 59.4°(0.12), 68.5°(0.16), 69.3°(0.12), 73.0... | JVASP-91955 | 7.53 7.53 4.69
90 90 131
Sr 0.286 0.214 0.750
Mg 0.200 0.809 0.250
Mg 0.691 0.300 0.250
Mg 0.693 0.807 0.250
Mg 0.322 0.672 0.750
Mg 0.828 0.178 0.750
Mg 0.869 0.631 0.750
Fe 0.111 0.389 0.250 |
Below is a description of a material. | The chemical formula is: CrCl3.
The XRD pattern shows main peaks at: 9.7°(0.82), 19.4°(0.16), 28.9°(0.71), 30.6°(0.11), 35.0°(0.07), 36.1°(1.0), 42.5°(0.27), 50.3°(0.23), 54.3°(0.1), 56.0°(0.23), 59.9°(0.07), 60.8°(0.08), 62.7°(0.12), 67.1°(0.09), 86.6°(0.06).
Generate atomic structure description with lattice lengths,... | JVASP-124244 | 3.38 3.52 9.16
90 89 118
Cr 0.750 0.000 0.375
Cl 0.250 -0.000 0.550
Cl 0.750 -0.000 0.875
Cl 0.250 0.000 0.200 |
Below is a description of a material. | The chemical formula is: W3O.
The XRD pattern shows main peaks at: 25.8°(0.37), 36.8°(0.11), 41.3°(1.0), 45.5°(0.24), 53.0°(0.05), 59.9°(0.08), 66.3°(0.19), 69.4°(0.23), 72.4°(0.12), 78.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18419 | 4.88 4.88 4.88
90 90 90
W 0.750 0.500 0.000
W 0.500 0.000 0.750
W 0.000 0.750 0.500
W 0.250 0.500 0.000
W 0.500 0.000 0.250
W 0.000 0.250 0.500
O 0.500 0.500 0.500
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiBeCd2.
The XRD pattern shows main peaks at: 23.8°(0.52), 39.4°(1.0), 46.5°(0.24), 56.9°(0.16), 62.6°(0.1), 71.4°(0.32), 76.5°(0.07), 84.7°(0.1), 89.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74665 | 4.58 4.58 4.58
120 120 89
Ti 0.500 0.500 0.000
Be 0.750 0.250 0.500
Cd 0.000 0.000 0.000
Cd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Ti3Tc2Os.
The XRD pattern shows main peaks at: 9.5°(0.14), 28.8°(0.26), 41.2°(1.0), 51.1°(0.09), 59.8°(0.12), 67.7°(0.08), 75.2°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191856 | 3.09 3.09 9.31
90 90 90
Ti -0.000 0.000 0.000
Ti -0.000 -0.000 0.668
Ti 0.000 0.000 0.332
Tc 0.500 0.500 0.833
Tc 0.500 0.500 0.167
Os 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba3Al2Si2.
The XRD pattern shows main peaks at: 17.9°(0.22), 24.6°(0.48), 26.7°(0.2), 28.5°(1.0), 32.5°(0.19), 35.1°(0.25), 37.7°(0.17), 41.9°(0.16), 43.3°(0.22), 44.6°(0.1), 45.5°(0.17), 45.9°(0.09), 50.4°(0.07), 51.3°(0.24), 52.4°(0.12), 53.4°(0.06), 55.7°(0.13), 58.8°(0.08).
Generate atomic ... | JVASP-16166 | 4.31 5.12 10.56
104 101 89
Ba 0.500 0.000 -0.000
Ba 0.814 0.814 0.628
Ba 0.186 0.186 0.372
Al 0.066 0.566 0.131
Al 0.934 0.434 0.869
Si 0.634 0.634 0.269
Si 0.366 0.366 0.731 |
Below is a description of a material. | The chemical formula is: YScBe.
The XRD pattern shows main peaks at: 15.4°(0.25), 27.9°(0.98), 31.0°(0.37), 35.7°(1.0), 38.3°(0.55), 41.5°(0.1), 48.0°(0.14), 50.1°(0.38), 55.3°(0.17), 62.4°(0.07), 63.0°(0.35), 64.7°(0.19), 67.6°(0.28), 76.2°(0.07), 77.7°(0.08), 82.0°(0.05), 88.6°(0.16).
Generate atomic structure descri... | JVASP-67617 | 6.22 6.22 6.22
149 149 44
Y 0.643 0.643 -0.000
Sc 0.370 0.370 0.000
Be 0.987 0.987 0.000 |
Below is a description of a material. | The chemical formula is: CeS.
The XRD pattern shows main peaks at: 25.5°(0.46), 36.4°(1.0), 45.0°(0.14), 52.4°(0.16), 59.2°(0.2), 65.5°(0.34), 77.3°(0.1), 83.0°(0.09), 88.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36113 | 3.49 3.49 3.49
90 90 90
Ce 0.000 0.000 0.000
S 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CeBRh3.
The XRD pattern shows main peaks at: 36.8°(1.0), 42.7°(0.53), 62.0°(0.35), 74.3°(0.38), 78.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-26991 | 4.23 4.23 4.23
90 90 90
Ce 0.000 0.000 0.000
B 0.500 0.500 0.500
Rh 0.000 0.500 0.500
Rh 0.500 0.500 0.000
Rh 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CdIn.
The XRD pattern shows main peaks at: 33.2°(1.0), 38.4°(0.35), 38.9°(0.16), 55.4°(0.12), 55.8°(0.23), 66.2°(0.25), 66.9°(0.13), 69.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129485 | 3.32 3.32 4.63
90 90 90
Cd 0.500 0.500 0.500
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NbZn.
The XRD pattern shows main peaks at: 38.8°(1.0), 45.0°(0.33), 45.4°(0.16), 65.8°(0.2), 78.9°(0.23), 79.4°(0.12), 83.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190294 | 2.85 2.85 4.00
90 90 90
Nb -0.000 -0.000 0.500
Zn 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Ce2Mg.
The XRD pattern shows main peaks at: 9.8°(0.57), 19.7°(0.2), 33.2°(0.22), 33.6°(0.18), 36.5°(1.0), 38.9°(0.05), 41.8°(0.06), 59.3°(0.16), 63.1°(0.05), 71.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93719 | 3.12 3.12 18.04
90 90 119
Ce 0.333 0.667 0.914
Ce 0.333 0.667 0.586
Ce 0.667 0.333 0.414
Ce 0.667 0.333 0.086
Mg 0.667 0.333 0.750
Mg 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Li2CuPO4.
The XRD pattern shows main peaks at: 14.2°(0.9), 17.7°(1.0), 22.4°(0.24), 22.8°(0.22), 24.6°(0.27), 28.0°(0.28), 28.4°(0.34), 33.0°(0.53), 33.9°(0.71), 35.8°(0.67), 37.5°(0.32), 37.9°(0.29), 38.4°(0.67), 41.6°(0.09), 49.9°(0.26), 59.4°(0.19), 59.7°(0.18), 61.3°(0.14), 65.2°(0.1), 66.0... | JVASP-49798 | 5.02 5.27 6.23
91 89 90
Li 0.495 0.161 0.002
Li -0.000 0.327 0.752
Li 0.490 0.673 0.745
Li 0.483 0.675 0.249
Cu -0.007 0.787 0.491
Cu 0.017 0.360 0.274
P 0.992 0.835 0.990
P 0.503 0.173 0.507
O 0.892 0.112 0.986
O 0.301 0.824 0.999
O 0.886 0.680 0.790
O 0.391 0.313 0.711
O 0.813 0.178 0.514
O 0.407 0.891 0.502
O 0.417 ... |
Below is a description of a material. | The chemical formula is: ZnCu3.
The XRD pattern shows main peaks at: 42.5°(1.0), 43.1°(0.3), 49.7°(0.55), 72.5°(0.16), 88.2°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106691 | 8.54 8.54 8.54
17 17 17
Zn 0.000 0.000 0.000
Cu 0.248 0.248 0.248
Cu 0.500 0.500 0.500
Cu 0.752 0.752 0.752 |
Below is a description of a material. | The chemical formula is: TlGeTe.
The XRD pattern shows main peaks at: 9.5°(0.18), 19.1°(0.13), 28.8°(1.0), 30.4°(0.05), 34.7°(0.12), 41.1°(0.74), 45.7°(0.06), 51.0°(0.26), 57.7°(0.06), 59.6°(0.09), 67.5°(0.25), 75.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136730 | 3.10 3.10 9.31
90 90 90
Tl 0.000 0.000 0.663
Ge 0.000 0.000 -0.007
Te 0.000 0.000 0.298 |
Below is a description of a material. | The chemical formula is: TiGa4O8.
The XRD pattern shows main peaks at: 11.2°(0.73), 14.4°(0.21), 22.5°(0.23), 25.6°(0.7), 30.2°(0.28), 30.5°(0.16), 32.2°(0.78), 34.0°(0.43), 34.3°(0.2), 35.0°(1.0), 36.8°(0.59), 47.3°(0.16), 53.6°(0.42), 58.0°(0.36), 58.9°(0.2), 60.6°(0.23), 61.6°(0.18), 61.9°(0.28), 65.9°(0.31), 70.2°(... | JVASP-34303 | 3.06 6.37 8.09
82 79 76
Ti 0.000 0.000 0.000
Ga 0.537 0.640 0.285
Ga 0.760 0.844 0.636
Ga 0.240 0.156 0.364
Ga 0.463 0.360 0.715
O 0.891 0.527 0.690
O 0.558 0.806 0.077
O 0.442 0.194 0.923
O 0.835 0.109 0.221
O 0.109 0.473 0.310
O 0.645 0.169 0.541
O 0.355 0.831 0.459
O 0.165 0.891 0.779 |
Below is a description of a material. | The chemical formula is: CeZnSbO.
The XRD pattern shows main peaks at: 28.5°(1.0), 30.5°(0.26), 31.9°(0.18), 35.5°(0.28), 35.9°(0.32), 43.7°(0.43), 47.5°(0.09), 49.1°(0.21), 53.0°(0.33), 57.5°(0.21), 63.5°(0.16), 66.4°(0.13), 71.0°(0.07), 75.1°(0.07), 82.9°(0.07), 84.2°(0.09), 87.2°(0.09).
Generate atomic structure des... | JVASP-18257 | 4.15 4.15 9.58
90 90 90
Ce 0.500 0.000 0.379
Ce 0.000 0.500 0.621
Zn 0.500 0.500 0.000
Zn 0.000 0.000 0.000
Sb 0.000 0.500 0.190
Sb 0.500 0.000 0.810
O 0.000 0.000 0.500
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PmPrHg2.
The XRD pattern shows main peaks at: 33.2°(1.0), 47.7°(0.19), 59.4°(0.35), 69.7°(0.11), 79.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103298 | 5.39 5.39 5.39
60 60 60
Pm 0.500 0.500 0.500
Pr 0.000 0.000 0.000
Hg 0.250 0.250 0.250
Hg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: HfZr3.
The XRD pattern shows main peaks at: 19.7°(0.1), 28.1°(0.09), 34.6°(1.0), 40.1°(0.56), 45.1°(0.05), 58.0°(0.37), 69.3°(0.43), 72.9°(0.12), 86.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187168 | 4.50 4.50 4.50
90 90 90
Hf 0.000 0.000 0.000
Zr 0.000 0.500 0.500
Zr 0.500 0.000 0.500
Zr 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MgAlSi.
The XRD pattern shows main peaks at: 24.6°(0.07), 34.1°(0.92), 35.1°(0.43), 35.8°(0.23), 36.8°(1.0), 40.0°(0.57), 42.4°(0.44), 43.1°(0.1), 44.9°(0.52), 46.9°(0.36), 48.4°(0.13), 48.9°(0.15), 58.7°(0.1), 63.5°(0.14), 65.1°(0.09), 66.9°(0.27), 68.3°(0.08), 75.8°(0.08), 76.7°(0.18), 77.4°(... | JVASP-86456 | 4.04 6.61 8.14
90 90 90
Mg 0.750 0.965 0.328
Mg 0.250 0.035 0.672
Mg 0.750 0.465 0.172
Mg 0.250 0.535 0.828
Al 0.750 0.857 0.929
Al 0.250 0.143 0.071
Al 0.750 0.357 0.571
Al 0.250 0.643 0.429
Si 0.750 0.740 0.619
Si 0.250 0.260 0.381
Si 0.750 0.240 0.881
Si 0.250 0.760 0.119 |
Below is a description of a material. | The chemical formula is: EuZnGe.
The XRD pattern shows main peaks at: 23.8°(0.14), 32.7°(1.0), 33.0°(0.45), 41.6°(0.23), 42.4°(0.41), 45.1°(0.18), 54.1°(0.23), 55.0°(0.1), 63.0°(0.13), 63.6°(0.23), 70.3°(0.11), 71.3°(0.09), 71.8°(0.08), 75.4°(0.09), 76.5°(0.07).
Generate atomic structure description with lattice length... | JVASP-85176 | 4.34 7.34 4.02
90 90 90
Eu 0.250 0.234 0.000
Eu 0.750 0.766 0.000
Zn 0.250 0.570 0.500
Zn 0.750 0.430 0.500
Ge 0.250 0.907 0.500
Ge 0.750 0.093 0.500 |
Below is a description of a material. | The chemical formula is: CaSi3Os.
The XRD pattern shows main peaks at: 17.6°(0.43), 22.8°(1.0), 29.9°(0.39), 34.1°(0.72), 34.9°(0.37), 42.8°(0.35), 46.7°(0.14), 47.2°(0.32), 49.1°(0.29), 50.2°(0.21), 55.9°(0.33), 56.9°(0.07), 62.2°(0.13), 63.6°(0.13), 68.0°(0.16), 72.9°(0.08), 73.4°(0.09), 81.6°(0.13), 83.1°(0.06), 88.... | JVASP-162994 | 5.86 5.86 5.86
137 137 61
Ca 0.997 0.997 -0.000
Os 0.648 0.648 0.000
Si 0.413 0.413 -0.000
Si 0.759 0.259 0.500
Si 0.259 0.759 0.500 |
Below is a description of a material. | The chemical formula is: LiVTe3O12.
The XRD pattern shows main peaks at: 24.6°(1.0), 34.0°(0.38), 35.9°(0.16), 41.4°(0.06), 44.1°(0.11), 50.4°(0.13), 55.4°(0.21), 57.9°(0.08), 59.6°(0.08), 63.3°(0.05), 64.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-48879 | 4.97 5.30 7.30
94 90 90
Li 0.501 0.934 0.796
V 0.003 0.005 0.020
Te 0.505 0.496 0.999
Te 0.007 0.003 0.504
Te 0.499 0.499 0.493
O 0.690 0.188 0.934
O 0.819 0.323 0.569
O 0.185 0.308 0.058
O 0.646 0.509 0.249
O 0.362 0.516 0.744
O 0.179 0.682 0.420
O 0.878 0.006 0.249
O 0.299 0.814 0.049
O 0.134 0.005 0.747
O 0.324 0.18... |
Below is a description of a material. | The chemical formula is: CdTe2.
The XRD pattern shows main peaks at: 11.4°(0.3), 21.5°(0.28), 23.0°(0.4), 24.0°(0.52), 24.9°(0.81), 29.8°(0.4), 30.9°(1.0), 32.1°(0.54), 33.3°(0.24), 34.8°(0.29), 38.1°(0.22), 39.3°(0.28), 40.4°(0.22), 42.1°(0.34), 42.5°(0.31), 43.9°(0.31), 44.8°(0.24), 46.4°(0.37), 48.3°(0.19), 66.9°(0.... | JVASP-114768 | 6.44 3.16 7.75
90 91 140
Cd 0.053 0.079 0.971
Te 0.534 0.312 0.198
Te 0.113 0.132 0.618 |
Below is a description of a material. | The chemical formula is: TbGa2Co3.
The XRD pattern shows main peaks at: 23.8°(0.07), 31.0°(0.36), 34.4°(0.35), 39.9°(0.31), 42.2°(1.0), 48.7°(0.18), 59.5°(0.11), 60.9°(0.15), 61.5°(0.07), 64.7°(0.14), 66.9°(0.23), 72.4°(0.17), 82.1°(0.06), 86.5°(0.12).
Generate atomic structure description with lattice lengths, angles,... | JVASP-86145 | 5.22 5.22 3.74
90 90 120
Tb 0.000 0.000 0.000
Ga 0.667 0.333 0.000
Ga 0.333 0.667 0.000
Co 0.500 0.500 0.500
Co -0.000 0.500 0.500
Co 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: TiSiRu.
The XRD pattern shows main peaks at: 15.8°(0.23), 25.1°(0.21), 27.5°(0.35), 37.5°(1.0), 40.9°(0.6), 42.5°(0.68), 48.6°(0.14), 50.0°(0.26), 51.5°(0.18), 66.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-21703 | 6.50 7.10 7.39
118 116 90
Ti 0.045 0.026 0.552
Ti 0.101 0.555 0.609
Ti 0.921 0.753 0.007
Ti 0.491 0.445 0.391
Ti 0.493 0.974 0.448
Ti 0.914 0.247 0.993
Si 0.539 0.782 0.064
Si 0.475 0.218 0.936
Si 0.827 0.339 0.665
Si 0.162 0.661 0.335
Si 0.162 0.174 0.335
Si 0.827 0.826 0.665
Ru 0.497 0.409 0.747
Ru 0.245 0.500 -0.000... |
Below is a description of a material. | The chemical formula is: La3SnN.
The XRD pattern shows main peaks at: 30.4°(1.0), 35.2°(0.63), 50.6°(0.44), 60.2°(0.47), 63.1°(0.14), 74.4°(0.07), 82.4°(0.2), 85.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108907 | 5.10 5.10 5.10
90 90 90
La 0.500 0.000 0.000
La 0.000 0.500 0.000
La 0.000 0.000 0.500
Sn 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgSe.
The XRD pattern shows main peaks at: 28.2°(0.51), 32.7°(1.0), 46.9°(0.71), 55.6°(0.2), 58.4°(0.22), 68.5°(0.11), 75.7°(0.09), 78.0°(0.31), 87.2°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78422 | 3.87 3.87 3.87
60 60 60
Mg 0.000 0.000 0.000
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Be2SbCl.
The XRD pattern shows main peaks at: 17.6°(0.3), 23.8°(0.3), 29.8°(1.0), 33.9°(0.49), 35.6°(0.21), 38.5°(0.18), 43.3°(0.15), 48.7°(0.16), 50.0°(0.31), 52.2°(0.08), 54.9°(0.06), 58.2°(0.28), 60.4°(0.14), 61.8°(0.16), 67.2°(0.08), 71.4°(0.05), 79.2°(0.06), 81.2°(0.12), 82.4°(0.07), 85.3°... | JVASP-74607 | 3.74 3.74 5.04
90 90 90
Be 0.000 0.000 -0.063
Be 0.500 0.500 0.360
Sb 0.500 0.500 0.856
Cl 0.000 0.000 0.348 |
Below is a description of a material. | The chemical formula is: LiNiP.
The XRD pattern shows main peaks at: 15.2°(1.0), 28.4°(0.13), 34.0°(0.05), 37.5°(0.34), 46.5°(0.45), 48.9°(0.2), 51.5°(0.16), 59.1°(0.12), 71.6°(0.06), 73.7°(0.05), 83.7°(0.06), 84.5°(0.06), 89.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-49832 | 3.73 3.73 5.82
90 90 90
Li 0.000 0.500 0.338
Li 0.500 0.000 0.662
Ni 0.000 0.000 0.000
Ni 0.500 0.500 0.000
P 0.000 0.500 0.775
P 0.500 0.000 0.225 |
Below is a description of a material. | The chemical formula is: CaAl2Sb2.
The XRD pattern shows main peaks at: 10.0°(0.06), 20.0°(0.29), 24.7°(0.32), 27.3°(1.0), 33.6°(0.13), 36.1°(0.27), 41.7°(0.56), 44.6°(0.12), 46.7°(0.21), 50.6°(0.18), 56.4°(0.07), 59.7°(0.09), 67.6°(0.14), 72.5°(0.07), 76.1°(0.11).
Generate atomic structure description with lattice len... | JVASP-118376 | 9.21 9.21 9.21
27 27 27
Ca 0.000 0.000 0.000
Al 0.452 0.452 0.452
Al 0.548 0.548 0.548
Sb 0.257 0.257 0.257
Sb 0.743 0.743 0.743 |
Below is a description of a material. | The chemical formula is: BaSm2FeS5.
The XRD pattern shows main peaks at: 13.2°(0.12), 20.9°(0.13), 26.5°(1.0), 32.6°(0.83), 36.5°(0.3), 42.5°(0.37), 46.8°(0.12), 48.7°(0.13), 49.7°(0.05), 51.7°(0.1), 52.6°(0.1), 54.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-59491 | 7.78 7.78 8.69
116 116 90
Ba 0.250 0.250 0.500
Ba 0.750 0.750 0.500
Sm 0.339 0.161 0.000
Sm 0.161 0.661 -0.000
Sm 0.661 0.839 -0.000
Sm 0.839 0.339 0.000
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
S 0.500 0.500 0.000
S 0.486 0.986 0.269
S 0.986 0.783 0.269
S 0.283 0.486 0.269
S 0.014 0.217 0.731
S 0.717 0.514 0.731
S 0.... |
Below is a description of a material. | The chemical formula is: KNdTe2.
The XRD pattern shows main peaks at: 10.9°(0.35), 22.6°(0.06), 26.8°(1.0), 34.2°(0.15), 37.1°(0.37), 39.2°(0.41), 44.6°(0.06), 46.9°(0.1), 48.1°(0.22), 55.1°(0.13), 60.8°(0.14), 63.7°(0.18), 69.7°(0.12), 71.1°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-1744 | 8.55 8.55 8.55
31 31 31
K 0.500 0.500 0.500
Nd 0.000 0.000 0.000
Te 0.260 0.260 0.260
Te 0.740 0.740 0.740 |
Below is a description of a material. | The chemical formula is: TmBRh3.
The XRD pattern shows main peaks at: 30.3°(0.05), 37.3°(1.0), 43.3°(0.47), 63.0°(0.33), 75.5°(0.36), 79.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15576 | 4.17 4.17 4.17
90 90 90
Tm 0.000 0.000 0.000
B 0.500 0.500 0.500
Rh 0.000 0.500 0.500
Rh 0.500 0.500 0.000
Rh 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: SnI2.
The XRD pattern shows main peaks at: 15.1°(0.2), 24.3°(0.19), 26.3°(0.5), 26.9°(0.5), 27.4°(1.0), 27.8°(0.6), 28.3°(0.44), 28.8°(0.92), 31.5°(0.55), 32.4°(0.58), 38.7°(0.3), 40.3°(0.66), 41.5°(0.22), 42.0°(0.13), 42.5°(0.11), 45.8°(0.21), 46.7°(0.16), 49.1°(0.2), 49.7°(0.24), 58.6°(0.2).
... | JVASP-3771 | 4.47 7.49 11.01
92 90 107
Sn 0.000 0.000 0.000
Sn 0.266 0.531 0.307
Sn 0.734 0.469 0.693
I 0.078 0.157 0.731
I 0.922 0.843 0.269
I 0.362 0.724 0.562
I 0.638 0.276 0.438
I 0.351 0.702 0.922
I 0.649 0.298 0.078 |
Below is a description of a material. | The chemical formula is: MnAlSi2.
The XRD pattern shows main peaks at: 17.6°(0.15), 28.1°(0.09), 33.3°(0.09), 40.1°(0.79), 44.1°(0.06), 45.9°(1.0), 58.0°(0.25), 75.4°(0.05), 77.0°(0.43), 86.6°(0.08), 89.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186714 | 3.18 3.18 5.04
90 90 90
Mn 0.500 0.500 0.613
Al 0.000 -0.000 0.876
Si 0.000 -0.000 0.387
Si 0.500 0.500 0.134 |
Below is a description of a material. | The chemical formula is: TbFe2B2.
The XRD pattern shows main peaks at: 26.4°(0.91), 38.0°(0.48), 38.3°(0.28), 40.1°(1.0), 50.4°(0.29), 55.1°(0.12), 57.8°(0.22), 65.0°(0.25), 70.5°(0.2), 74.1°(0.09), 86.6°(0.1), 87.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16717 | 3.62 3.62 5.35
109 109 90
Tb 0.000 0.000 0.000
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
B 0.661 0.661 0.322
B 0.339 0.339 0.678 |
Below is a description of a material. | The chemical formula is: I.
The XRD pattern shows main peaks at: 30.4°(1.0), 43.6°(0.19), 54.1°(0.4), 63.3°(0.12), 71.9°(0.17), 88.0°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25315 | 3.60 3.60 3.60
109 109 109
I 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4YSb.
The XRD pattern shows main peaks at: 15.1°(0.12), 24.7°(0.21), 29.1°(1.0), 30.4°(0.5), 35.2°(0.09), 43.5°(0.09), 46.3°(0.38), 50.7°(0.35), 59.5°(0.13), 60.3°(0.19), 71.1°(0.23), 74.5°(0.06), 81.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-64561 | 7.20 7.20 7.20
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Y 0.000 0.000 0.000
Sb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CaNi5.
The XRD pattern shows main peaks at: 21.0°(0.46), 36.7°(0.17), 42.6°(0.27), 43.6°(1.0), 46.5°(0.35), 48.9°(0.62), 64.9°(0.15), 70.9°(0.2), 78.1°(0.17), 84.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-144792 | 6.26 6.26 6.26
133 102 94
Ca 0.750 0.490 0.740
Ca 0.250 0.510 0.260
Ni 0.084 0.849 0.765
Ni 0.416 0.182 0.765
Ni 0.584 0.818 0.235
Ni 0.916 0.151 0.235
Ni 0.000 0.000 0.500
Ni 0.500 -0.000 0.000
Ni 0.745 -0.000 0.745
Ni 0.755 0.500 0.255
Ni 0.245 0.500 0.745
Ni 0.255 0.000 0.255 |
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