instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
|---|---|---|---|
Below is a description of a material. | The chemical formula is: Ti2NiTe4.
The XRD pattern shows main peaks at: 28.4°(0.15), 30.3°(1.0), 39.5°(0.34), 47.1°(0.43), 51.4°(0.15), 55.8°(0.07), 57.0°(0.15), 58.8°(0.07), 62.9°(0.07), 77.0°(0.12), 78.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155209 | 7.34 7.34 6.67
116 116 30
Ti 0.249 0.249 0.265
Ti 0.751 0.751 0.735
Ni -0.000 -0.000 -0.000
Te 0.379 0.379 0.046
Te 0.113 0.113 0.452
Te 0.887 0.887 0.548
Te 0.621 0.621 0.954 |
Below is a description of a material. | The chemical formula is: ZnNi3Sb2.
The XRD pattern shows main peaks at: 28.5°(0.39), 36.9°(1.0), 44.3°(0.82), 48.2°(0.27), 53.5°(0.07), 59.0°(0.25), 61.2°(0.09), 67.5°(0.1), 76.6°(0.2), 81.5°(0.12), 84.3°(0.1), 86.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-4747 | 4.09 4.09 6.70
90 90 119
Zn 0.000 0.000 0.000
Ni 0.000 0.000 0.500
Ni 0.333 0.667 0.905
Ni 0.667 0.333 0.095
Sb 0.333 0.667 0.302
Sb 0.667 0.333 0.698 |
Below is a description of a material. | The chemical formula is: CaSnAu2.
The XRD pattern shows main peaks at: 25.2°(0.21), 35.9°(1.0), 44.4°(0.07), 51.7°(0.18), 58.4°(0.09), 64.6°(0.37), 76.2°(0.11), 87.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79076 | 5.00 5.00 5.00
60 60 60
Ca 0.250 0.250 0.250
Sn 0.750 0.750 0.750
Au 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YVFe11.
The XRD pattern shows main peaks at: 38.0°(0.24), 39.1°(0.14), 43.7°(0.34), 44.1°(1.0), 45.0°(0.71), 46.6°(0.06), 49.4°(0.24), 50.4°(0.46), 63.7°(0.06), 81.2°(0.09), 81.6°(0.08), 83.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-145727 | 4.61 6.28 6.28
97 111 68
Y 0.005 0.995 0.005
V 0.632 0.368 0.632
Fe 0.502 0.999 0.503
Fe 0.002 0.999 0.503
Fe 0.502 0.497 0.001
Fe 0.002 0.497 0.001
Fe 0.729 0.771 0.229
Fe 0.271 0.229 0.771
Fe 0.500 0.774 0.774
Fe 0.500 0.226 0.226
Fe 0.361 0.639 0.361
Fe 0.998 0.365 0.361
Fe 0.998 0.639 0.635 |
Below is a description of a material. | The chemical formula is: SrBeRh.
The XRD pattern shows main peaks at: 16.5°(0.1), 29.0°(1.0), 33.4°(0.43), 37.6°(0.88), 39.7°(0.6), 51.2°(0.08), 52.8°(0.44), 57.4°(0.2), 65.6°(0.19), 67.7°(0.21), 68.0°(0.19), 70.7°(0.29), 80.4°(0.05), 83.8°(0.07), 85.5°(0.06).
Generate atomic structure description with lattice lengths,... | JVASP-67740 | 5.82 5.82 5.82
147 147 45
Sr 0.668 0.668 0.000
Be 0.941 0.941 0.000
Rh 0.391 0.391 -0.000 |
Below is a description of a material. | The chemical formula is: V3Cl2.
The XRD pattern shows main peaks at: 10.5°(1.0), 29.8°(0.05), 39.7°(0.44), 41.2°(0.12), 42.7°(0.55), 51.8°(0.19), 57.4°(0.13), 74.1°(0.18), 80.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185440 | 3.21 3.21 8.46
90 90 90
V 0.500 0.500 0.359
V -0.000 0.000 0.500
V 0.500 0.500 0.641
Cl 0.000 0.000 0.802
Cl -0.000 -0.000 0.198 |
Below is a description of a material. | The chemical formula is: NpGa2.
The XRD pattern shows main peaks at: 21.4°(0.57), 37.6°(0.87), 38.0°(1.0), 43.7°(0.1), 54.5°(0.39), 59.0°(0.08), 64.5°(0.06), 68.1°(0.4), 77.1°(0.22), 80.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17526 | 4.79 4.79 2.89
90 90 120
Np 0.000 0.000 0.000
Ga 0.333 0.667 0.500
Ga 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Yb3Sm3S8.
The XRD pattern shows main peaks at: 25.9°(1.0), 33.7°(0.53), 40.2°(0.16), 48.5°(0.2), 50.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-53112 | 7.28 7.29 7.29
109 108 109
Yb 0.125 0.748 0.874
Yb 0.250 0.626 0.376
Yb 0.375 0.249 0.622
Sm 0.750 0.874 0.124
Sm 0.625 0.376 0.252
Sm 0.875 0.127 0.751
S 0.996 0.854 0.498
S 0.504 0.002 0.858
S 0.147 0.142 0.141
S 0.353 0.494 0.995
S 0.643 0.649 0.647
S 0.503 0.001 0.355
S 0.857 0.505 0.007
S 0.997 0.352 0.498 |
Below is a description of a material. | The chemical formula is: Ba4HfTe.
The XRD pattern shows main peaks at: 25.1°(0.3), 29.5°(1.0), 30.9°(0.34), 44.2°(0.13), 47.0°(0.34), 51.5°(0.32), 58.1°(0.06), 60.5°(0.13), 61.3°(0.14), 70.2°(0.06), 72.3°(0.23), 83.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64633 | 7.10 7.10 7.10
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Hf 0.250 0.250 0.250
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YBe2Cu.
The XRD pattern shows main peaks at: 27.8°(0.68), 29.9°(0.96), 33.0°(0.05), 41.3°(1.0), 42.7°(0.5), 51.8°(0.42), 57.5°(0.08), 62.0°(0.16), 66.1°(0.24), 69.3°(0.18), 70.3°(0.15), 74.2°(0.15), 77.2°(0.29), 89.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-69429 | 2.99 2.99 6.42
90 90 90
Y 0.500 0.500 0.500
Be 0.000 0.000 0.826
Be 0.000 0.000 0.174
Cu 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Hf3FeTc2.
The XRD pattern shows main peaks at: 27.7°(0.14), 39.6°(1.0), 57.3°(0.11), 71.9°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191874 | 3.22 3.22 9.65
90 90 90
Hf 0.000 0.000 0.000
Hf -0.000 0.000 0.662
Hf 0.000 -0.000 0.338
Fe 0.500 0.500 0.500
Tc 0.500 0.500 0.829
Tc 0.500 0.500 0.171 |
Below is a description of a material. | The chemical formula is: LiMg2Tl.
The XRD pattern shows main peaks at: 22.2°(1.0), 25.7°(0.31), 36.6°(0.73), 43.2°(0.52), 45.3°(0.09), 52.8°(0.12), 65.9°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18736 | 4.91 4.91 4.91
60 60 60
Li 0.500 0.500 0.500
Mg 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Tl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaAs2Pd2.
The XRD pattern shows main peaks at: 16.8°(0.06), 32.8°(0.43), 33.7°(1.0), 41.5°(0.54), 45.3°(0.18), 48.0°(0.17), 53.8°(0.22), 60.1°(0.18), 60.7°(0.15), 70.7°(0.23), 86.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173294 | 4.35 4.35 6.10
110 110 89
La -0.000 -0.000 -0.000
As 0.379 0.379 0.758
As 0.621 0.621 0.242
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Ti2H4Rh.
The XRD pattern shows main peaks at: 13.7°(0.37), 31.3°(0.13), 37.2°(1.0), 42.1°(0.17), 43.7°(0.37), 46.0°(0.1), 47.0°(0.15), 62.3°(0.21), 63.5°(0.12), 73.7°(0.09), 75.9°(0.24), 79.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190340 | 2.93 2.93 6.77
102 102 90
H 0.131 0.131 0.263
H 0.869 0.869 0.737
H 0.250 0.750 0.500
H 0.750 0.250 0.500
Rh 0.000 0.000 0.000
Ti 0.651 0.651 0.302
Ti 0.349 0.349 0.698 |
Below is a description of a material. | The chemical formula is: CeAg.
The XRD pattern shows main peaks at: 34.3°(1.0), 39.0°(0.16), 40.2°(0.31), 57.3°(0.22), 58.2°(0.11), 67.7°(0.13), 69.3°(0.24), 72.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16672 | 3.17 3.17 4.61
90 90 90
Ce 0.500 0.500 0.500
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SnRh3.
The XRD pattern shows main peaks at: 39.4°(1.0), 45.8°(0.46), 66.8°(0.3), 80.5°(0.35), 84.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126600 | 3.96 3.96 3.96
90 90 90
Sn 0.000 0.500 0.000
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4TeMo.
The XRD pattern shows main peaks at: 15.4°(0.11), 25.3°(0.22), 29.7°(1.0), 31.1°(0.48), 36.0°(0.07), 44.5°(0.09), 47.4°(0.38), 51.9°(0.34), 61.0°(0.12), 61.7°(0.19), 72.9°(0.24), 76.5°(0.05), 84.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-64276 | 7.05 7.05 7.05
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Te 0.000 0.000 0.000
Mo 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: C.
The XRD pattern shows main peaks at: 24.3°(1.0), 32.4°(0.99), 38.8°(0.1), 42.6°(0.4), 49.8°(0.1), 53.1°(0.16), 54.5°(0.15), 77.6°(0.16), 78.2°(0.08), 79.7°(0.12), 86.6°(0.11), 87.2°(0.06), 89.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom t... | JVASP-25225 | 3.69 3.69 4.27
90 90 97
C 0.151 0.849 0.319
C 0.849 0.151 0.681
C 0.849 0.151 0.319
C 0.151 0.849 0.681
C 0.500 0.000 0.843
C 0.500 0.000 0.157
C -0.000 0.500 0.157
C -0.000 0.500 0.843 |
Below is a description of a material. | The chemical formula is: Bi5F.
The XRD pattern shows main peaks at: 22.9°(0.07), 24.5°(0.34), 28.9°(1.0), 35.0°(0.49), 40.2°(0.58), 42.3°(0.15), 44.3°(0.13), 50.2°(0.23), 54.3°(0.13), 61.3°(0.29), 66.2°(0.22), 69.7°(0.14), 73.0°(0.09), 86.8°(0.07), 89.6°(0.12).
Generate atomic structure description with lattice lengths... | JVASP-123800 | 4.49 4.49 10.22
90 90 120
Bi 0.667 0.333 0.161
Bi 0.667 0.333 0.559
Bi 0.333 0.667 0.379
Bi 0.333 0.667 0.953
Bi 0.000 0.000 0.773
F 0.000 0.000 0.175 |
Below is a description of a material. | The chemical formula is: Ni4N3.
The XRD pattern shows main peaks at: 39.3°(1.0), 45.7°(0.86), 66.6°(0.48), 80.2°(0.34), 84.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94956 | 3.97 3.97 3.97
90 90 90
Ni 0.000 0.000 0.000
Ni 0.500 0.500 0.000
Ni 0.500 0.000 0.500
Ni 0.000 0.500 0.500
N 0.500 0.500 0.500
N 0.000 0.000 0.500
N 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeCN2.
The XRD pattern shows main peaks at: 26.3°(0.44), 26.9°(0.4), 33.8°(0.06), 39.7°(1.0), 40.9°(0.55), 42.5°(0.89), 45.3°(0.65), 46.3°(0.3), 59.5°(0.22), 60.4°(0.12), 71.2°(0.21), 73.6°(0.34), 79.7°(0.39), 80.5°(0.16), 85.5°(0.07), 86.6°(0.11), 88.9°(0.22).
Generate atomic structure descrip... | JVASP-145201 | 4.26 4.41 5.30
90 90 90
Be 0.993 0.586 0.875
Be 0.493 0.414 0.125
Be 0.493 0.914 0.375
Be 0.993 0.086 0.625
C 0.993 0.568 0.375
C 0.493 0.432 0.625
C 0.493 0.932 0.875
C 0.993 0.068 0.125
N 0.349 0.560 0.396
N 0.849 0.440 0.604
N 0.849 0.940 0.896
N 0.349 0.060 0.104
N 0.390 0.607 0.853
N 0.890 0.393 0.147
N 0.890 0.89... |
Below is a description of a material. | The chemical formula is: NaCeC2O6.
The XRD pattern shows main peaks at: 13.8°(0.33), 17.1°(0.49), 18.7°(0.51), 22.1°(0.22), 25.1°(0.23), 25.4°(0.4), 30.6°(1.0), 34.7°(0.16), 35.3°(0.44), 39.7°(0.21), 40.7°(0.17), 42.3°(0.16), 44.4°(0.19), 45.7°(0.25), 46.9°(0.33), 47.8°(0.22), 51.1°(0.17), 53.1°(0.13), 60.4°(0.13), 74.... | JVASP-122113 | 5.17 6.41 7.09
90 90 90
Na 0.000 0.481 0.030
Na 0.000 0.519 0.530
Ce 0.500 0.134 0.326
Ce 0.500 0.866 0.826
C 0.500 0.587 0.245
C 0.500 0.413 0.745
C 0.000 0.034 0.997
C 0.000 0.966 0.497
O 0.780 0.124 0.032
O 0.220 0.876 0.532
O 0.780 0.876 0.532
O 0.220 0.124 0.032
O 0.713 0.491 0.283
O 0.000 0.854 0.914
O 0.713 0.50... |
Below is a description of a material. | The chemical formula is: MgBeIn.
The XRD pattern shows main peaks at: 13.8°(0.78), 27.7°(0.25), 32.1°(0.36), 35.1°(1.0), 42.1°(0.1), 43.0°(0.44), 54.0°(0.2), 57.3°(0.15), 59.2°(0.11), 64.8°(0.13), 67.2°(0.16), 69.0°(0.13), 73.6°(0.11), 74.2°(0.09), 82.6°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-68675 | 3.22 3.22 6.43
90 90 120
Mg 0.333 0.667 0.698
Be 0.000 0.000 1.000
In 0.667 0.333 0.303 |
Below is a description of a material. | The chemical formula is: BaGaSn.
The XRD pattern shows main peaks at: 23.8°(0.08), 27.9°(1.0), 33.7°(0.19), 39.1°(0.45), 40.7°(0.12), 48.7°(0.22), 52.5°(0.18), 59.0°(0.07), 64.1°(0.18), 70.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109789 | 4.61 4.61 10.66
90 90 120
Ba 0.000 0.000 0.230
Ba 0.000 0.000 0.770
Ga 0.333 0.667 0.002
Ga 0.667 0.333 0.998
Sn 0.667 0.333 0.556
Sn 0.333 0.667 0.444 |
Below is a description of a material. | The chemical formula is: VO2.
The XRD pattern shows main peaks at: 19.7°(1.0), 36.4°(0.45), 45.0°(0.65), 49.6°(0.12), 60.6°(0.14), 64.3°(0.18), 66.8°(0.14), 68.0°(0.15), 81.9°(0.08), 88.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105582 | 4.80 4.80 4.80
35 35 35
V 0.500 0.500 0.500
O 0.760 0.760 0.760
O 0.240 0.240 0.240 |
Below is a description of a material. | The chemical formula is: Al12W.
The XRD pattern shows main peaks at: 16.4°(1.0), 23.3°(0.13), 28.7°(0.5), 37.3°(0.64), 41.0°(0.32), 44.4°(0.65), 47.7°(0.11), 62.0°(0.07), 72.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-21672 | 6.61 6.61 6.61
109 109 109
Al 0.496 0.307 0.188
Al 0.307 0.812 0.119
Al 0.188 0.881 0.693
Al 0.693 0.812 0.504
Al 0.812 0.119 0.307
Al 0.693 0.188 0.881
Al 0.812 0.504 0.693
Al 0.188 0.496 0.307
Al 0.307 0.188 0.496
Al 0.119 0.307 0.812
Al 0.881 0.693 0.188
Al 0.504 0.693 0.812
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KCr3O8.
The XRD pattern shows main peaks at: 11.8°(0.7), 21.1°(0.4), 22.1°(0.73), 23.2°(0.7), 25.2°(0.51), 29.9°(1.0), 31.5°(0.4), 32.7°(0.44), 35.9°(0.63), 40.4°(0.18), 47.4°(0.1), 51.2°(0.13), 51.7°(0.12), 56.6°(0.15), 57.1°(0.11), 58.7°(0.15), 59.7°(0.1), 62.1°(0.13), 62.5°(0.19), 64.5°(0.11... | JVASP-152095 | 5.05 5.05 7.56
85 85 65
K 0.000 0.000 0.000
Cr -0.000 -0.000 0.500
Cr 0.377 0.377 0.294
Cr 0.623 0.623 0.706
O 0.775 0.775 0.550
O 0.225 0.225 0.450
O 0.319 0.319 0.096
O 0.681 0.681 0.904
O 0.233 0.741 0.318
O 0.259 0.767 0.682
O 0.767 0.259 0.682
O 0.741 0.233 0.318 |
Below is a description of a material. | The chemical formula is: Bi2O3.
The XRD pattern shows main peaks at: 27.0°(1.0), 30.7°(0.31), 32.4°(0.11), 44.0°(0.14), 45.2°(0.26), 52.3°(0.29), 54.6°(0.1), 55.7°(0.1), 63.9°(0.05), 72.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-98125 | 5.53 8.24 8.24
90 90 90
Bi 0.220 0.251 0.515
Bi 0.780 0.515 0.749
Bi 0.220 0.749 0.485
Bi 0.220 0.751 0.985
Bi 0.220 0.249 0.015
Bi 0.780 0.015 0.751
Bi 0.780 0.985 0.249
Bi 0.780 0.485 0.251
O 0.000 0.752 0.252
O 0.500 0.374 0.126
O 0.500 0.626 0.874
O 0.500 0.000 0.000
O 0.000 0.248 0.748
O 0.500 0.126 0.626
O 0.000 ... |
Below is a description of a material. | The chemical formula is: LiZn2Ni.
The XRD pattern shows main peaks at: 26.3°(0.2), 30.5°(0.16), 43.7°(1.0), 51.7°(0.09), 63.5°(0.15), 80.3°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188081 | 4.14 4.14 4.14
60 60 60
Ni 0.500 0.500 0.500
Zn 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Li -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SmOs2.
The XRD pattern shows main peaks at: 19.1°(0.11), 19.6°(0.08), 33.5°(0.2), 35.5°(0.67), 39.1°(1.0), 40.1°(0.87), 43.9°(0.28), 44.6°(0.15), 49.6°(0.09), 61.2°(0.22), 63.6°(0.24), 65.4°(0.33), 67.6°(0.12), 70.3°(0.29), 81.3°(0.12), 84.0°(0.2).
Generate atomic structure description with lat... | JVASP-86275 | 5.35 5.35 9.05
90 90 120
Sm 0.333 0.667 0.435
Sm 0.667 0.333 0.565
Sm 0.667 0.333 0.935
Sm 0.333 0.667 0.065
Os 0.171 0.341 0.750
Os 0.171 0.829 0.750
Os 0.341 0.171 0.250
Os 0.829 0.659 0.250
Os 0.659 0.829 0.750
Os 0.000 0.000 0.000
Os 0.829 0.171 0.250
Os 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: HoCo4Cu.
The XRD pattern shows main peaks at: 22.4°(0.09), 30.9°(0.5), 36.9°(0.32), 42.9°(0.33), 43.6°(1.0), 45.7°(0.27), 60.1°(0.15), 62.9°(0.14), 64.5°(0.19), 66.6°(0.06), 71.2°(0.23), 78.7°(0.14), 83.0°(0.13), 84.5°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-102335 | 3.97 4.87 4.86
119 90 90
Ho 0.000 1.000 -0.000
Co 0.000 0.667 0.333
Co 0.500 0.501 0.003
Co 0.500 0.501 0.499
Co 0.500 0.997 0.499
Cu 0.000 0.333 0.667 |
Below is a description of a material. | The chemical formula is: LiCd2Rh.
The XRD pattern shows main peaks at: 23.8°(0.22), 27.6°(0.15), 39.4°(1.0), 46.5°(0.1), 56.9°(0.17), 64.4°(0.05), 71.4°(0.33), 84.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40229 | 4.58 4.58 4.58
60 60 60
Li 0.250 0.250 0.250
Cd 0.500 0.500 0.500
Cd 0.000 0.000 0.000
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: AlFeRh.
The XRD pattern shows main peaks at: 24.7°(0.59), 33.2°(0.35), 41.8°(0.84), 43.5°(1.0), 50.7°(0.08), 55.8°(0.47), 61.9°(0.25), 69.6°(0.08), 78.7°(0.25), 79.9°(0.15), 85.8°(0.25), 89.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180537 | 4.16 4.16 2.70
90 90 120
Al -0.000 0.000 -0.000
Fe 0.333 0.667 0.500
Rh 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: UI3.
The XRD pattern shows main peaks at: 9.3°(0.45), 18.7°(0.06), 30.2°(1.0), 33.4°(0.46), 34.8°(0.09), 37.0°(0.2), 37.8°(0.08), 45.0°(0.12), 48.0°(0.18), 51.4°(0.13), 57.8°(0.33), 70.3°(0.06), 80.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-124530 | 3.79 3.79 9.51
89 89 90
U 0.250 0.250 0.125
I 0.250 0.250 0.625
I 0.750 0.750 0.320
I 0.750 0.750 0.930 |
Below is a description of a material. | The chemical formula is: Pd3I.
The XRD pattern shows main peaks at: 37.4°(1.0), 43.5°(0.44), 63.1°(0.29), 75.7°(0.33), 79.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126481 | 4.17 4.17 4.17
90 90 90
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.500
Pd 0.000 0.500 0.000
I 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2YSbO6.
The XRD pattern shows main peaks at: 29.8°(1.0), 42.6°(0.34), 52.8°(0.45), 61.8°(0.21), 70.1°(0.19), 77.9°(0.07), 85.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9974 | 6.01 6.01 6.01
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Y 0.000 0.000 0.000
Sb 0.500 0.500 0.500
O 0.263 0.737 0.737
O 0.263 0.737 0.263
O 0.737 0.263 0.737
O 0.263 0.263 0.737
O 0.737 0.263 0.263
O 0.737 0.737 0.263 |
Below is a description of a material. | The chemical formula is: ZrAlPt2.
The XRD pattern shows main peaks at: 22.6°(0.58), 25.1°(0.14), 31.4°(0.06), 39.7°(0.79), 40.0°(1.0), 46.2°(0.09), 57.7°(0.32), 62.5°(0.07), 72.3°(0.36), 85.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14076 | 4.54 4.54 8.24
90 90 120
Zr 0.333 0.667 0.750
Zr 0.667 0.333 0.250
Al 0.000 0.000 0.750
Al 0.000 0.000 0.250
Pt 0.667 0.333 0.917
Pt 0.333 0.667 0.083
Pt 0.333 0.667 0.417
Pt 0.667 0.333 0.583 |
Below is a description of a material. | The chemical formula is: Pm3P.
The XRD pattern shows main peaks at: 28.1°(1.0), 32.7°(0.8), 46.7°(0.32), 47.0°(0.3), 55.5°(0.35), 58.1°(0.17), 68.4°(0.1), 75.3°(0.12), 77.6°(0.14), 86.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125788 | 3.89 3.89 9.43
90 90 120
Pm 0.667 0.333 0.820
Pm 0.000 0.000 0.500
Pm 0.333 0.667 0.180
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: H6C2SeO.
The XRD pattern shows main peaks at: 15.7°(1.0), 17.4°(0.97), 22.3°(0.49), 22.8°(0.68), 23.8°(0.33), 24.2°(0.43), 25.1°(0.56), 27.4°(0.41), 28.8°(0.23), 30.5°(0.44), 32.5°(0.21), 33.3°(0.11), 35.8°(0.36), 36.4°(0.25), 38.5°(0.28), 39.7°(0.14), 41.1°(0.14), 44.3°(0.15), 46.1°(0.14), 50.... | JVASP-141708 | 4.97 5.93 6.84
107 89 95
H 0.823 0.021 0.212
H 0.513 0.131 0.867
H 0.487 0.869 0.133
H 0.766 0.806 0.959
H 0.212 0.059 0.441
H 0.788 0.941 0.559
H 0.234 0.194 0.041
H 0.759 0.652 0.603
H 0.531 0.245 0.492
H 0.469 0.755 0.508
H 0.177 -0.021 0.788
H 0.241 0.348 0.397
C 0.690 0.758 0.510
C 0.310 0.242 0.490
C 0.705 0.858 ... |
Below is a description of a material. | The chemical formula is: Ba4ZrPt.
The XRD pattern shows main peaks at: 15.8°(0.06), 26.0°(0.28), 30.6°(1.0), 32.0°(0.38), 45.9°(0.11), 48.8°(0.37), 53.5°(0.29), 60.4°(0.05), 62.9°(0.12), 63.7°(0.15), 73.0°(0.06), 75.3°(0.23), 79.0°(0.05), 87.0°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-66195 | 6.86 6.86 6.86
60 60 60
Ba 0.127 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.127 0.624
Ba 0.624 0.624 0.127
Zr 0.000 0.000 0.000
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Hg2Cl.
The XRD pattern shows main peaks at: 16.6°(0.38), 24.3°(0.22), 29.5°(1.0), 29.9°(0.5), 41.9°(0.6), 42.6°(0.2), 43.2°(0.38), 46.5°(0.07), 51.3°(0.11), 52.9°(0.17), 53.5°(0.1), 61.3°(0.11), 62.2°(0.06), 69.0°(0.11), 70.0°(0.08), 70.6°(0.08), 71.3°(0.08), 75.7°(0.05), 78.4°(0.17).
Generate ... | JVASP-116166 | 4.25 4.19 5.35
90 90 120
Hg 0.851 0.253 0.112
Hg 0.188 -0.075 0.418
Cl 0.520 0.589 0.765 |
Below is a description of a material. | The chemical formula is: Rb2CuSbI6.
The XRD pattern shows main peaks at: 15.2°(0.31), 26.4°(0.81), 30.6°(1.0), 43.8°(0.67), 51.9°(0.36), 54.4°(0.25), 63.7°(0.11), 72.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99704 | 8.26 8.26 8.26
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Cu 0.500 0.500 0.500
Sb 0.000 0.000 0.000
I 0.741 0.259 0.259
I 0.259 0.259 0.741
I 0.259 0.741 0.741
I 0.259 0.741 0.259
I 0.741 0.259 0.741
I 0.741 0.741 0.259 |
Below is a description of a material. | The chemical formula is: Na2TaO2.
The XRD pattern shows main peaks at: 11.8°(1.0), 23.8°(0.15), 33.4°(0.16), 35.6°(0.55), 41.5°(0.41), 50.0°(0.17), 59.8°(0.11), 60.4°(0.14), 61.2°(0.09), 65.3°(0.06), 71.8°(0.09), 72.3°(0.06), 75.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-179669 | 3.09 3.09 7.48
90 90 120
Na 0.667 0.333 0.345
Na 0.333 0.667 0.655
Ta 0.000 0.000 0.000
O 0.667 0.333 0.834
O 0.333 0.667 0.166 |
Below is a description of a material. | The chemical formula is: Rb2PdBr.
The XRD pattern shows main peaks at: 16.3°(1.0), 24.3°(0.69), 29.4°(0.23), 32.9°(0.16), 33.8°(0.63), 38.5°(0.44), 44.7°(0.14), 45.4°(0.28), 46.8°(0.06), 47.9°(0.11), 49.9°(0.1), 56.2°(0.07), 57.2°(0.13), 58.4°(0.06), 59.0°(0.12), 66.7°(0.15), 81.3°(0.05).
Generate atomic structure desc... | JVASP-115714 | 8.39 8.39 8.39
153 87 99
Rb 0.254 0.000 0.254
Rb 0.746 0.000 0.746
Pd 0.500 0.000 0.500
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbPa3.
The XRD pattern shows main peaks at: 32.9°(1.0), 38.1°(0.5), 55.0°(0.36), 65.6°(0.45), 68.9°(0.13), 81.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125733 | 4.72 4.72 4.72
90 90 90
Tb 0.000 0.000 0.500
Pa 0.000 0.500 0.000
Pa 0.500 0.000 0.000
Pa 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Nd2Sn3.
The XRD pattern shows main peaks at: 28.3°(0.14), 29.3°(0.18), 30.1°(0.14), 31.3°(0.17), 32.4°(1.0), 32.9°(0.46), 33.7°(0.2), 34.5°(0.06), 36.1°(0.21), 37.3°(0.23), 42.1°(0.14), 42.8°(0.05), 43.6°(0.12), 48.7°(0.06), 50.0°(0.06), 57.2°(0.12), 59.5°(0.06), 64.6°(0.08), 66.3°(0.1), 68.3°(... | JVASP-98032 | 6.45 8.53 11.22
107 96 100
Nd 0.126 0.755 0.385
Nd 0.333 0.033 0.745
Nd 0.667 0.967 0.255
Nd 0.555 0.429 0.336
Nd 0.445 0.571 0.664
Nd 0.960 0.253 0.057
Nd 0.040 0.747 0.943
Nd 0.874 0.245 0.615
Sn 0.825 0.964 0.777
Sn 0.175 0.036 0.223
Sn 0.561 0.831 0.948
Sn 0.222 0.406 0.863
Sn 0.778 0.594 0.137
Sn 0.323 0.602 0.140... |
Below is a description of a material. | The chemical formula is: V2Si2O7.
The XRD pattern shows main peaks at: 17.9°(0.27), 19.5°(0.15), 28.7°(0.53), 29.1°(1.0), 31.5°(0.46), 35.5°(0.2), 36.2°(0.12), 42.3°(0.25), 44.3°(0.12), 45.8°(0.22), 49.6°(0.17), 54.8°(0.1), 55.6°(0.08), 56.6°(0.3), 59.9°(0.09), 62.3°(0.1), 63.8°(0.12), 67.5°(0.12), 69.4°(0.11), 73.4°(0... | JVASP-46370 | 5.22 5.22 4.66
82 97 74
V 0.687 0.687 -0.000
V 0.313 0.313 0.000
Si 0.230 0.770 0.406
Si 0.770 0.230 0.594
O 0.075 0.597 0.208
O 0.403 0.925 0.208
O 0.400 0.600 0.728
O -0.000 0.000 0.500
O 0.600 0.400 0.272
O 0.597 0.075 0.792
O 0.925 0.403 0.792 |
Below is a description of a material. | The chemical formula is: BaSrNdCu3O7.
The XRD pattern shows main peaks at: 7.6°(0.24), 22.6°(0.07), 32.4°(0.83), 32.9°(1.0), 38.4°(0.05), 40.3°(0.22), 46.1°(0.27), 47.7°(0.25), 57.8°(0.36), 58.8°(0.29), 68.5°(0.15), 76.7°(0.1), 79.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-113116 | 3.81 3.94 11.65
90 90 90
Ba 0.500 0.500 0.178
Sr 0.500 0.500 0.819
Nd 0.500 0.500 0.504
Cu 0.000 0.000 0.349
Cu 0.000 0.000 0.658
Cu 0.000 0.000 0.996
O 0.000 0.000 0.156
O 0.000 0.000 0.836
O 0.500 0.000 0.374
O 0.000 0.500 0.372
O 0.500 0.000 0.633
O 0.000 0.500 0.638
O 0.000 0.500 0.986 |
Below is a description of a material. | The chemical formula is: NaTm2Os.
The XRD pattern shows main peaks at: 22.1°(0.22), 25.6°(0.07), 36.5°(1.0), 43.0°(0.11), 52.5°(0.19), 65.6°(0.38), 77.5°(0.12), 88.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161238 | 4.93 4.93 4.93
60 60 60
Na 0.250 0.250 0.250
Tm 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Os 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TaCl.
The XRD pattern shows main peaks at: 27.9°(0.54), 39.9°(1.0), 49.4°(0.17), 57.7°(0.16), 65.3°(0.22), 72.5°(0.34), 86.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128233 | 3.19 3.19 3.19
90 90 90
Ta 0.000 0.000 0.000
Cl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MoCl4.
The XRD pattern shows main peaks at: 7.7°(0.2), 15.4°(0.55), 19.5°(0.77), 29.4°(0.3), 35.0°(1.0), 37.1°(0.16), 43.3°(0.13), 44.6°(0.57), 55.6°(0.27), 58.0°(0.09), 67.4°(0.12), 73.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137679 | 5.73 5.73 11.53
90 90 120
Mo 0.000 0.000 0.500
Mo 0.667 0.333 0.000
Mo 0.333 0.667 0.000
Cl 0.678 0.000 0.127
Cl 0.322 0.322 0.127
Cl 0.000 0.678 0.127
Cl 0.327 0.327 0.617
Cl -0.000 0.673 0.617
Cl 0.673 -0.000 0.617
Cl 0.000 0.327 0.383
Cl 0.327 0.000 0.383
Cl 0.673 0.673 0.383
Cl 0.322 -0.000 0.873
Cl 0.678 0.678 0.8... |
Below is a description of a material. | The chemical formula is: Cr2NiO4.
The XRD pattern shows main peaks at: 30.4°(0.38), 35.8°(1.0), 37.5°(0.06), 43.5°(0.14), 57.6°(0.32), 63.3°(0.44).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-59592 | 5.88 5.88 5.88
59 60 60
Cr 0.500 0.000 0.000
Cr 0.000 0.000 0.000
Cr 1.000 0.500 0.000
Cr 0.000 0.000 0.500
Ni 0.625 0.625 0.625
Ni 0.375 0.375 0.375
O 0.762 0.762 0.762
O 0.238 0.238 0.786
O 0.238 0.786 0.238
O 0.786 0.238 0.238
O 0.762 0.214 0.762
O 0.214 0.762 0.762
O 0.238 0.238 0.238
O 0.762 0.762 0.214 |
Below is a description of a material. | The chemical formula is: B2Pb.
The XRD pattern shows main peaks at: 22.1°(1.0), 31.4°(0.54), 32.5°(0.96), 45.1°(0.22), 45.9°(0.69), 50.7°(0.22), 56.7°(0.19), 63.5°(0.12), 65.6°(0.07), 66.3°(0.23), 68.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137846 | 4.32 4.32 3.15
68 68 82
B 0.775 0.567 0.896
B 0.775 0.567 0.396
Pb 0.275 0.067 -0.106 |
Below is a description of a material. | The chemical formula is: Np5Ge4.
The XRD pattern shows main peaks at: 23.8°(0.1), 25.8°(0.4), 31.6°(0.09), 33.3°(0.07), 35.4°(0.26), 36.0°(1.0), 37.5°(0.95), 53.0°(0.34), 55.9°(0.09), 58.9°(0.08), 64.7°(0.11), 65.8°(0.25), 76.4°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-97620 | 8.64 8.64 5.76
90 90 120
Np 0.333 0.667 0.000
Np 0.706 -0.000 0.750
Np 0.000 0.294 0.250
Np -0.000 0.706 0.750
Np 0.294 0.294 0.750
Np 0.706 0.706 0.250
Np 0.333 0.667 0.500
Np 0.667 0.333 0.000
Np 0.667 0.333 0.500
Np 0.294 0.000 0.250
Ge 0.000 0.000 0.000
Ge 0.629 0.000 0.250
Ge 0.629 0.629 0.750
Ge -0.000 0.371 0.75... |
Below is a description of a material. | The chemical formula is: SnC.
The XRD pattern shows main peaks at: 32.2°(1.0), 37.4°(0.68), 53.9°(0.48), 64.2°(0.45), 67.4°(0.17), 79.7°(0.08), 88.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36409 | 3.40 3.40 3.40
60 60 60
Sn 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LuSeO3F.
The XRD pattern shows main peaks at: 13.8°(0.3), 18.9°(0.22), 21.0°(1.0), 23.6°(0.46), 25.9°(0.85), 29.8°(0.27), 30.8°(0.95), 33.6°(0.35), 35.3°(0.42), 39.7°(0.26), 43.2°(0.24), 46.9°(0.17), 48.2°(0.13), 48.9°(0.52), 51.0°(0.2), 52.0°(0.12), 53.3°(0.12), 57.5°(0.14), 58.7°(0.17), 62.8°... | JVASP-168134 | 4.27 6.47 6.88
90 90 97
Lu 0.459 0.373 0.250
Lu 0.541 0.627 0.750
Se 0.318 0.134 0.750
Se 0.682 0.866 0.250
O 0.396 0.025 0.250
O 0.604 0.975 0.750
O 0.444 0.319 0.571
O 0.556 0.681 0.071
O 0.556 0.681 0.429
O 0.444 0.319 0.929
F 0.958 0.361 0.250
F 0.042 0.639 0.750 |
Below is a description of a material. | The chemical formula is: VCuS2.
The XRD pattern shows main peaks at: 15.3°(0.8), 30.8°(0.29), 31.3°(0.09), 38.8°(1.0), 41.5°(0.8), 41.9°(0.26), 47.0°(0.07), 50.3°(0.26), 55.1°(0.25), 56.0°(0.33), 58.4°(0.09), 62.5°(0.12), 65.3°(0.1), 72.0°(0.25), 76.0°(0.07), 82.4°(0.15), 83.2°(0.09), 89.5°(0.15).
Generate atomic struc... | JVASP-183014 | 3.29 3.29 5.81
90 90 90
V 0.500 0.500 0.617
Cu -0.000 -0.000 0.904
S -0.000 -0.000 0.484
S 0.500 0.500 0.004 |
Below is a description of a material. | The chemical formula is: Sr3Cu.
The XRD pattern shows main peaks at: 29.2°(1.0), 33.8°(0.57), 48.5°(0.38), 57.6°(0.47), 60.4°(0.13), 71.1°(0.06), 78.6°(0.19), 81.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107983 | 5.31 5.31 5.31
90 90 90
Sr 0.500 0.500 0.000
Sr 0.500 0.000 0.500
Sr 0.000 0.500 0.500
Cu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4InW.
The XRD pattern shows main peaks at: 25.6°(0.31), 30.1°(1.0), 31.5°(0.38), 45.2°(0.12), 48.1°(0.34), 52.6°(0.31), 59.4°(0.06), 61.8°(0.12), 62.6°(0.15), 71.8°(0.07), 74.0°(0.23), 85.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66477 | 6.96 6.96 6.96
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
In 0.250 0.250 0.250
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbGeO3.
The XRD pattern shows main peaks at: 32.2°(1.0), 39.7°(0.06), 46.2°(0.37), 57.4°(0.36), 67.4°(0.22), 76.7°(0.17), 85.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179434 | 3.93 3.93 3.93
90 90 90
Rb 0.000 0.000 0.000
Ge 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CdPtO2.
The XRD pattern shows main peaks at: 12.8°(0.36), 25.8°(0.64), 33.4°(1.0), 36.7°(0.63), 39.0°(0.08), 48.0°(0.45), 53.0°(0.08), 55.2°(0.24), 57.4°(0.27), 63.9°(0.3), 68.0°(0.13), 70.1°(0.1), 72.3°(0.1), 78.0°(0.1), 81.9°(0.14), 83.7°(0.07).
Generate atomic structure description with latt... | JVASP-179255 | 7.16 7.16 7.16
25 25 25
Cd 0.000 0.000 0.000
Pt 0.500 0.500 0.500
O 0.120 0.120 0.120
O 0.880 0.880 0.880 |
Below is a description of a material. | The chemical formula is: ZrCo.
The XRD pattern shows main peaks at: 28.1°(0.05), 40.2°(1.0), 58.1°(0.14), 73.0°(0.28), 86.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20652 | 3.17 3.17 3.17
90 90 90
Zr 0.000 0.000 0.000
Co 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbNaCd3O4.
The XRD pattern shows main peaks at: 13.5°(0.19), 19.4°(0.18), 26.0°(0.18), 27.2°(0.14), 30.7°(0.79), 32.5°(0.98), 32.7°(1.0), 43.6°(0.16), 44.3°(0.18), 47.7°(0.11), 49.4°(0.19), 55.5°(0.34), 56.0°(0.28), 58.2°(0.06), 59.3°(0.24), 68.0°(0.08), 68.5°(0.08).
Generate atomic structure d... | JVASP-101125 | 6.81 6.81 9.16
47 47 31
Rb 0.995 0.995 0.004
Na 0.180 0.180 0.451
Cd 0.809 0.809 0.553
Cd 0.379 0.379 0.802
Cd 0.629 0.629 0.194
O 0.240 0.240 0.153
O 0.766 0.766 0.833
O 0.597 0.597 0.653
O 0.404 0.404 0.357 |
Below is a description of a material. | The chemical formula is: B2O3.
The XRD pattern shows main peaks at: 25.9°(0.5), 31.9°(1.0), 40.2°(0.4), 42.8°(0.43), 47.0°(0.07), 49.9°(0.05), 53.2°(0.11), 60.6°(0.06), 66.8°(0.1), 79.5°(0.05), 81.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-62678 | 4.36 4.36 8.35
90 90 119
B 0.433 0.495 0.016
B 0.505 0.938 0.349
B 0.062 0.567 0.683
B 0.900 0.729 0.233
B 0.271 0.171 0.566
B 0.829 0.100 0.899
O 0.116 0.185 0.996
O 0.815 0.932 0.329
O 0.068 0.884 0.663
O 0.667 0.489 0.124
O 0.511 0.177 0.458
O 0.823 0.333 0.791
O 0.265 0.482 0.586
O 0.518 0.783 0.919
O 0.217 0.735 0... |
Below is a description of a material. | The chemical formula is: MnGeRh.
The XRD pattern shows main peaks at: 15.6°(0.12), 24.8°(0.22), 27.2°(0.14), 37.1°(1.0), 40.5°(0.89), 42.1°(0.54), 48.0°(0.37), 49.5°(0.49), 50.9°(0.27), 68.1°(0.24), 72.6°(0.21), 78.0°(0.34), 86.6°(0.05), 88.7°(0.09).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-90244 | 3.59 6.56 6.56
119 90 90
Mn 0.500 0.592 -0.000
Mn 0.500 0.408 0.408
Mn 0.500 1.000 0.592
Ge 0.000 0.333 0.667
Ge 0.000 0.667 0.333
Ge 0.500 -0.000 -0.000
Rh 0.000 0.259 0.000
Rh 0.000 0.741 0.741
Rh 0.000 -0.000 0.259 |
Below is a description of a material. | The chemical formula is: Sr4ZrN4.
The XRD pattern shows main peaks at: 29.1°(0.35), 29.9°(1.0), 33.3°(0.33), 33.7°(0.33), 36.2°(0.34), 47.7°(0.08), 48.5°(0.12), 49.7°(0.06), 50.5°(0.13), 53.3°(0.06), 57.8°(0.09), 62.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-165932 | 6.48 6.48 9.69
71 79 67
Sr 0.759 0.592 0.179
Sr 0.241 0.408 0.821
Sr 0.748 0.238 0.980
Sr 0.252 0.762 0.020
Sr 0.730 0.480 0.572
Sr 0.270 0.520 0.428
Sr 0.231 0.957 0.608
Sr 0.769 0.043 0.392
Zr 0.714 0.849 0.759
Zr 0.286 0.151 0.241
N 0.971 0.704 0.615
N 0.029 0.296 0.385
N 0.873 0.838 0.933
N 0.127 0.162 0.067
N 0.51... |
Below is a description of a material. | The chemical formula is: MgNbRu2.
The XRD pattern shows main peaks at: 14.2°(0.19), 28.3°(0.08), 31.7°(0.06), 40.6°(1.0), 58.4°(0.16), 59.1°(0.08), 73.6°(0.3), 74.0°(0.15), 87.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190863 | 3.16 3.16 6.25
90 90 90
Ru 0.000 -0.000 0.758
Ru -0.000 0.000 0.242
Nb 0.500 0.500 -0.000
Mg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaSrTa.
The XRD pattern shows main peaks at: 20.1°(0.37), 23.2°(0.13), 33.1°(1.0), 39.0°(0.2), 47.5°(0.18), 52.1°(0.09), 53.5°(0.06), 59.1°(0.37), 63.1°(0.07), 69.4°(0.1), 73.1°(0.06), 79.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66264 | 5.41 5.41 5.41
60 60 60
Ba 0.750 0.750 0.750
Sr 0.000 0.000 0.000
Ta 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NaSr2Ga.
The XRD pattern shows main peaks at: 19.0°(0.07), 22.0°(0.1), 31.3°(1.0), 44.8°(0.17), 55.7°(0.37), 65.3°(0.11), 74.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184037 | 5.72 5.72 5.72
60 60 60
Na -0.000 0.000 -0.000
Sr 0.250 0.250 0.250
Sr 0.750 0.750 0.750
Ga 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SbBrO.
The XRD pattern shows main peaks at: 10.7°(0.21), 31.8°(1.0), 33.0°(0.44), 39.7°(0.12), 43.7°(0.05), 47.4°(0.21), 50.0°(0.12), 55.8°(0.14), 58.2°(0.34), 66.4°(0.06), 69.2°(0.06), 71.4°(0.09), 78.2°(0.07), 78.9°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-38027 | 3.84 3.84 8.28
90 90 90
Sb 0.500 0.000 0.852
Sb 0.000 0.500 0.148
Br 0.000 0.500 0.663
Br 0.500 0.000 0.337
O 0.500 0.500 0.000
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K2PdCl4.
The XRD pattern shows main peaks at: 12.6°(1.0), 22.0°(0.27), 25.4°(0.39), 28.5°(0.85), 33.8°(0.16), 36.2°(0.7), 42.8°(0.16), 44.8°(0.14), 46.7°(0.5), 52.2°(0.3), 53.9°(0.1), 57.3°(0.06), 58.9°(0.3), 60.5°(0.08), 66.7°(0.1), 71.1°(0.16), 72.6°(0.17), 83.9°(0.13).
Generate atomic struct... | JVASP-3546 | 7.01 7.01 4.05
90 90 90
K 0.000 0.500 0.500
K 0.500 0.000 0.500
Pd 0.000 0.000 0.000
Cl 0.765 0.235 0.000
Cl 0.235 0.235 0.000
Cl 0.765 0.765 0.000
Cl 0.235 0.765 0.000 |
Below is a description of a material. | The chemical formula is: NaTm.
The XRD pattern shows main peaks at: 14.4°(0.74), 28.9°(0.25), 30.4°(0.45), 33.8°(1.0), 42.5°(0.4), 54.1°(0.15), 54.5°(0.25), 56.3°(0.15), 62.5°(0.19), 65.3°(0.14), 68.8°(0.09), 71.1°(0.09), 72.2°(0.07), 80.4°(0.08), 85.0°(0.08), 89.8°(0.13).
Generate atomic structure description with lat... | JVASP-129318 | 3.39 3.39 6.17
90 90 119
Na 0.333 0.667 0.250
Tm 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: ZrRh2Pt.
The XRD pattern shows main peaks at: 22.2°(0.07), 31.9°(0.07), 39.2°(1.0), 45.2°(0.33), 46.3°(0.16), 65.8°(0.1), 66.7°(0.21), 79.4°(0.24), 81.0°(0.12), 84.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191597 | 3.92 4.01 4.01
90 90 90
Rh 0.500 0.000 0.500
Rh 0.500 0.500 -0.000
Zr 0.000 0.000 -0.000
Pt 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ce4Se3O4.
The XRD pattern shows main peaks at: 24.4°(0.25), 25.6°(0.22), 31.2°(1.0), 31.8°(0.23), 34.4°(0.15), 34.9°(0.07), 36.1°(0.12), 38.2°(0.09), 39.1°(0.08), 41.7°(0.11), 43.1°(0.09), 46.2°(0.17), 46.9°(0.12), 48.6°(0.06), 52.1°(0.07), 52.9°(0.06), 54.0°(0.09), 58.8°(0.07), 61.6°(0.07), 64... | JVASP-164187 | 3.93 6.60 8.67
92 90 107
Ce 0.680 0.361 0.236
Ce 0.010 0.020 0.491
Ce 0.996 0.992 0.970
Ce 0.694 0.388 0.758
Se 0.383 0.765 0.703
Se 0.345 0.690 0.364
Se 0.308 0.615 0.025
O 0.590 0.181 0.986
O 0.100 0.200 0.741
O 0.076 0.152 0.234
O 0.614 0.229 0.493 |
Below is a description of a material. | The chemical formula is: SrSb2O6.
The XRD pattern shows main peaks at: 16.5°(0.31), 25.4°(1.0), 33.5°(0.5), 37.6°(0.19), 42.5°(0.22), 48.0°(0.48), 55.1°(0.31), 59.8°(0.14), 62.5°(0.07), 66.0°(0.07), 70.3°(0.15), 76.1°(0.17), 80.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-150286 | 5.35 5.35 5.36
90 90 120
Sr 0.000 0.000 0.000
Sb 0.333 0.667 0.500
Sb 0.667 0.333 0.500
O 0.377 -0.000 0.290
O -0.000 0.377 0.290
O 0.623 0.623 0.290
O 0.000 0.623 0.710
O 0.623 0.000 0.710
O 0.377 0.377 0.710 |
Below is a description of a material. | The chemical formula is: BaPbF6.
The XRD pattern shows main peaks at: 17.7°(0.14), 23.2°(1.0), 26.9°(0.71), 29.4°(0.09), 35.8°(0.27), 40.8°(0.18), 43.2°(0.63), 47.5°(0.21), 49.6°(0.16), 55.5°(0.25), 60.9°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-3417 | 5.10 5.10 5.10
97 97 97
Ba 0.500 0.500 0.500
Pb 0.000 0.000 0.000
F 0.702 0.702 0.068
F 0.702 0.068 0.702
F 0.298 0.932 0.298
F 0.298 0.298 0.932
F 0.932 0.298 0.298
F 0.068 0.702 0.702 |
Below is a description of a material. | The chemical formula is: Sm2P3Pt4.
The XRD pattern shows main peaks at: 28.0°(0.13), 30.3°(0.1), 31.8°(1.0), 35.8°(0.48), 39.5°(0.25), 43.4°(0.45), 47.6°(0.06), 49.1°(0.12), 52.5°(0.09), 54.8°(0.19), 60.1°(0.16), 63.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-106747 | 10.00 10.00 10.00
155 155 34
Sm 0.628 0.628 0.000
Sm 0.372 0.372 0.000
P 0.926 0.926 0.000
P 0.074 0.074 -0.000
P 0.750 0.250 0.500
Pt 0.804 0.804 0.000
Pt 0.196 0.196 -0.000
Pt 0.999 0.499 0.500
Pt 0.501 0.001 0.500 |
Below is a description of a material. | The chemical formula is: CuSbAs.
The XRD pattern shows main peaks at: 24.3°(0.23), 28.1°(0.32), 40.1°(1.0), 47.5°(0.11), 49.7°(0.09), 58.1°(0.16), 65.7°(0.12), 72.9°(0.33), 86.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75639 | 4.49 4.49 4.49
60 60 60
Cu 0.750 0.750 0.750
Sb 0.000 0.000 0.000
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaZnF4.
The XRD pattern shows main peaks at: 18.5°(0.09), 28.7°(1.0), 29.5°(0.09), 32.3°(0.06), 33.8°(0.07), 38.8°(0.09), 40.5°(0.1), 47.5°(0.44), 48.5°(0.22), 55.5°(0.16), 57.4°(0.31), 59.5°(0.07), 71.1°(0.05), 76.8°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-57781 | 5.30 5.30 6.69
113 113 89
Ca 0.625 0.375 0.750
Ca 0.375 0.625 0.250
Zn 0.125 0.875 0.750
Zn 0.875 0.125 0.250
F 0.393 0.226 0.928
F 0.226 0.035 0.428
F 0.702 0.393 0.428
F 0.035 0.702 0.928
F 0.965 0.298 0.072
F 0.298 0.607 0.572
F 0.774 0.965 0.572
F 0.607 0.774 0.072 |
Below is a description of a material. | The chemical formula is: AsF5.
The XRD pattern shows main peaks at: 18.0°(0.32), 23.0°(1.0), 28.6°(0.17), 31.5°(0.36), 36.5°(0.2), 47.4°(0.22), 49.0°(0.06), 51.2°(0.23), 56.1°(0.06), 65.7°(0.11), 67.5°(0.15), 68.6°(0.06), 70.6°(0.07), 73.2°(0.06), 85.0°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-87099 | 5.68 5.68 6.24
90 90 120
As 0.667 0.333 0.750
As 0.333 0.667 0.250
F 0.333 0.667 0.531
F 0.667 0.333 0.031
F 0.159 0.319 0.250
F 0.841 0.159 0.750
F 0.319 0.159 0.750
F 0.681 0.841 0.250
F 0.159 0.841 0.250
F 0.841 0.681 0.750
F 0.333 0.667 0.969
F 0.667 0.333 0.469 |
Below is a description of a material. | The chemical formula is: CoB3.
The XRD pattern shows main peaks at: 28.1°(1.0), 31.3°(0.34), 34.3°(0.63), 38.6°(0.37), 47.6°(0.1), 50.5°(0.45), 53.7°(0.19), 57.6°(0.17), 58.1°(0.17), 60.0°(0.35), 63.2°(0.09), 70.5°(0.12), 72.2°(0.05), 78.5°(0.13), 87.6°(0.1).
Generate atomic structure description with lattice lengths, ... | JVASP-182837 | 3.74 3.74 2.94
113 66 80
Co 0.725 0.457 0.328
B 0.082 0.814 0.828
B 0.294 0.536 0.083
B 0.804 0.026 0.573 |
Below is a description of a material. | The chemical formula is: VReO4.
The XRD pattern shows main peaks at: 18.6°(0.7), 26.3°(0.97), 26.8°(0.91), 32.2°(0.15), 37.5°(1.0), 38.2°(0.17), 42.0°(0.34), 42.8°(0.14), 54.2°(0.4), 54.8°(0.26), 55.3°(0.15), 61.1°(0.08), 61.8°(0.12), 62.5°(0.07), 67.4°(0.06), 67.9°(0.15), 68.6°(0.13).
Generate atomic structure descrip... | JVASP-142531 | 4.78 5.48 5.48
61 90 90
V 0.498 0.511 0.011
V 0.502 0.989 0.489
Re -0.000 0.027 0.973
Re 0.000 0.473 0.527
O 0.216 0.128 0.628
O 0.194 0.651 0.151
O 0.806 0.849 0.349
O 0.784 0.372 0.872
O 0.303 0.153 0.136
O 0.303 0.636 0.653
O 0.697 0.347 0.364
O 0.697 0.864 0.847 |
Below is a description of a material. | The chemical formula is: Mg2AgHg.
The XRD pattern shows main peaks at: 22.8°(0.12), 26.3°(0.62), 37.6°(1.0), 46.5°(0.18), 54.2°(0.17), 61.2°(0.23), 67.8°(0.34), 80.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107675 | 4.79 4.79 4.79
60 60 60
Mg 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Ag 0.500 0.500 0.500
Hg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K3BrCl2.
The XRD pattern shows main peaks at: 8.0°(0.09), 24.2°(0.06), 28.1°(1.0), 40.1°(0.72), 49.7°(0.18), 58.0°(0.11), 65.7°(0.15), 72.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106361 | 4.50 4.50 11.02
90 90 120
K 0.000 0.000 0.500
K 0.333 0.667 0.178
K 0.667 0.333 0.822
Br 0.000 0.000 0.000
Cl 0.333 0.667 0.661
Cl 0.667 0.333 0.339 |
Below is a description of a material. | The chemical formula is: SrZn2Cu2.
The XRD pattern shows main peaks at: 18.6°(0.13), 28.1°(0.16), 33.9°(0.97), 34.6°(0.92), 40.2°(1.0), 47.7°(0.31), 52.1°(0.15), 54.0°(0.49), 58.1°(0.29), 65.7°(0.26), 67.8°(0.13), 69.1°(0.21), 69.4°(0.11), 78.4°(0.12), 83.4°(0.14), 86.8°(0.1).
Generate atomic structure description with... | JVASP-155701 | 5.73 5.73 5.73
133 133 67
Sr 0.000 0.000 0.000
Zn 0.364 0.364 0.000
Zn 0.636 0.636 -0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: CaCoO2.
The XRD pattern shows main peaks at: 11.2°(1.0), 22.5°(0.23), 29.1°(0.17), 31.3°(0.1), 31.9°(0.15), 34.1°(0.58), 34.7°(0.3), 35.4°(0.17), 35.8°(0.21), 36.6°(0.16), 37.7°(0.32), 40.3°(0.42), 41.3°(0.33), 43.3°(0.1), 44.4°(0.27), 51.3°(0.08), 53.4°(0.1), 55.7°(0.19), 57.9°(0.11), 60.0°(0.... | JVASP-9195 | 3.20 8.03 8.05
99 91 93
Ca 0.194 0.710 0.917
Ca 0.691 0.271 0.095
Ca 0.689 0.943 0.311
Ca 0.246 0.024 0.708
Co 0.052 0.376 0.713
Co 0.643 0.670 0.560
Co 0.284 0.271 0.438
Co 0.180 0.615 0.270
O 0.551 0.462 0.359
O 0.778 0.172 0.547
O 0.163 0.801 0.466
O 0.581 0.520 0.731
O 0.172 0.269 0.898
O 0.719 0.863 0.797
O 0.710 ... |
Below is a description of a material. | The chemical formula is: BeZnIn4.
The XRD pattern shows main peaks at: 17.8°(0.68), 29.3°(0.06), 34.5°(1.0), 36.1°(0.74), 41.9°(0.26), 45.9°(0.16), 55.3°(0.3), 60.7°(0.3), 63.8°(0.12), 71.8°(0.1), 72.7°(0.28), 76.5°(0.06), 79.3°(0.07), 86.7°(0.21).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-74804 | 6.10 6.10 6.10
60 60 60
Be 0.000 0.000 0.000
Zn 0.250 0.250 0.250
In 0.125 0.625 0.625
In 0.625 0.625 0.625
In 0.625 0.125 0.625
In 0.625 0.625 0.125 |
Below is a description of a material. | The chemical formula is: TmMgPt2.
The XRD pattern shows main peaks at: 23.2°(0.14), 26.8°(0.14), 38.3°(1.0), 45.2°(0.08), 55.2°(0.17), 62.4°(0.05), 69.2°(0.37), 81.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37352 | 4.70 4.70 4.70
60 60 60
Tm 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Pt 0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HO.
The XRD pattern shows main peaks at: 11.9°(0.86), 16.8°(0.83), 20.6°(1.0), 23.8°(0.38), 26.7°(0.51), 29.4°(0.31), 34.0°(0.24), 36.0°(0.18), 38.0°(0.17), 40.0°(0.27), 42.0°(0.09), 43.9°(0.07), 45.5°(0.15), 50.3°(0.06), 53.6°(0.07), 54.9°(0.06), 56.4°(0.07).
Generate atomic structure descript... | JVASP-135038 | 5.29 5.29 7.41
90 90 90
H 0.000 0.000 0.932
O 0.000 0.000 0.068 |
Below is a description of a material. | The chemical formula is: InBRh2.
The XRD pattern shows main peaks at: 32.6°(0.44), 33.6°(0.22), 37.3°(1.0), 40.0°(0.97), 42.0°(0.38), 46.3°(0.09), 50.0°(0.15), 57.5°(0.47), 58.1°(0.09), 70.6°(0.17), 71.9°(0.16), 72.3°(0.16), 73.7°(0.41), 77.0°(0.13).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-194915 | 3.20 3.20 6.72
76 76 60
In 0.500 0.500 0.499
B 0.667 0.667 0.999
Rh 0.056 0.056 0.832
Rh 0.277 0.277 0.170 |
Below is a description of a material. | The chemical formula is: MnCO3.
The XRD pattern shows main peaks at: 18.5°(0.1), 24.0°(0.31), 30.7°(0.93), 31.2°(1.0), 37.4°(0.26), 38.6°(0.06), 44.7°(0.12), 45.5°(0.25), 48.7°(0.12), 49.7°(0.06), 50.6°(0.27), 51.1°(0.13), 51.6°(0.21), 57.6°(0.07), 60.0°(0.09), 61.2°(0.1), 63.4°(0.08), 67.3°(0.06), 70.7°(0.08), 75.7°(0... | JVASP-167963 | 3.81 4.80 6.06
90 74 90
Mn -0.000 0.315 0.250
Mn 0.000 0.685 0.750
C 0.500 0.816 0.250
C 0.500 0.184 0.750
O 0.500 0.086 0.250
O 0.500 0.914 0.750
O 0.766 0.679 0.115
O 0.234 0.321 0.885
O 0.766 0.321 0.615
O 0.234 0.679 0.385 |
Below is a description of a material. | The chemical formula is: CrTcMo2.
The XRD pattern shows main peaks at: 32.7°(0.06), 41.6°(1.0), 59.9°(0.07), 60.6°(0.15), 75.7°(0.14), 76.2°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194127 | 3.06 3.06 6.17
90 90 90
Cr 0.500 0.500 0.750
Mo 0.000 -0.000 0.986
Mo -0.000 -0.000 0.514
Tc 0.500 0.500 0.250 |
Below is a description of a material. | The chemical formula is: Cd2FeC6N6.
The XRD pattern shows main peaks at: 13.9°(0.31), 21.4°(1.0), 28.2°(0.35), 31.6°(0.38), 35.7°(0.18), 40.2°(0.53), 46.1°(0.19), 50.0°(0.16), 51.8°(0.08), 54.7°(0.08), 58.3°(0.11), 62.9°(0.1), 66.0°(0.1), 87.1°(0.09).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-56528 | 6.32 6.32 6.38
90 90 120
Cd 0.333 0.667 0.500
Cd 0.667 0.333 0.500
Fe 0.000 0.000 0.000
C 0.236 -0.000 0.176
C 0.763 0.764 0.176
C 0.764 0.000 0.824
C 0.000 0.237 0.176
C 0.237 0.236 0.824
C -0.000 0.763 0.824
N 0.378 1.000 0.297
N 0.622 0.622 0.297
N 0.000 0.378 0.297
N 1.000 0.622 0.703
N 0.378 0.378 0.703
N 0.622 0.... |
Below is a description of a material. | The chemical formula is: PuAl2.
The XRD pattern shows main peaks at: 19.6°(0.77), 32.3°(1.0), 38.1°(0.94), 46.4°(0.12), 57.7°(0.44), 67.7°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18081 | 5.54 5.54 5.54
60 60 60
Pu 0.875 0.875 0.875
Pu 0.125 0.125 0.125
Al 0.500 0.500 0.500
Al 0.500 0.500 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: ZrAlPd2.
The XRD pattern shows main peaks at: 23.8°(0.09), 27.6°(0.11), 39.4°(1.0), 57.0°(0.18), 71.5°(0.35), 84.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-27271 | 4.57 4.57 4.57
60 60 59
Zr 0.500 0.500 0.500
Al 0.000 0.000 0.000
Pd 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CaTe2.
The XRD pattern shows main peaks at: 20.6°(0.75), 22.2°(0.77), 24.3°(1.0), 30.2°(0.17), 31.8°(0.24), 32.7°(0.47), 34.7°(0.53), 35.7°(0.64), 39.1°(0.31), 41.9°(0.21), 43.2°(0.39), 44.6°(0.2), 47.9°(0.14), 49.3°(0.11), 51.3°(0.14), 51.9°(0.24), 55.2°(0.1), 58.6°(0.14), 59.6°(0.16), 61.0°(0... | JVASP-128406 | 5.06 4.61 6.29
90 66 117
Ca -0.000 0.333 0.333
Te 0.212 -0.061 0.587
Te 0.788 0.727 0.080 |
Below is a description of a material. | The chemical formula is: U3Si2C3.
The XRD pattern shows main peaks at: 9.3°(0.05), 18.7°(0.07), 24.6°(0.61), 28.2°(0.27), 33.9°(1.0), 34.4°(0.58), 45.0°(0.31), 47.9°(0.06), 49.4°(0.23), 57.9°(0.14), 59.1°(0.09), 60.3°(0.1), 61.3°(0.37), 72.5°(0.08), 82.7°(0.09).
Generate atomic structure description with lattice length... | JVASP-8685 | 3.69 3.69 9.85
100 100 90
U 0.684 0.684 0.367
U 0.316 0.316 0.633
U 0.500 0.500 -0.000
Si 0.097 0.097 0.193
Si 0.903 0.903 0.807
C 0.750 0.250 0.500
C 0.250 0.750 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaCd.
The XRD pattern shows main peaks at: 29.9°(1.0), 42.9°(0.19), 53.2°(0.4), 62.2°(0.13), 70.6°(0.17), 86.2°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128865 | 4.22 4.22 4.22
90 90 90
Ba 0.500 0.500 0.500
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cu3F.
The XRD pattern shows main peaks at: 24.7°(0.15), 35.1°(0.12), 43.4°(1.0), 50.6°(0.42), 57.0°(0.06), 74.3°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126970 | 3.61 3.61 3.61
90 90 90
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.500 0.500 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiBe2Cl.
The XRD pattern shows main peaks at: 13.0°(0.08), 26.2°(0.48), 30.6°(0.66), 40.7°(1.0), 43.8°(0.41), 51.8°(0.26), 54.0°(0.1), 63.3°(0.13), 63.7°(0.12), 70.1°(0.09), 72.0°(0.15), 78.4°(0.25), 88.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-68506 | 2.92 2.92 6.79
90 90 90
Ti 0.500 0.500 0.500
Be 0.000 0.000 0.734
Be 0.000 0.000 0.266
Cl 0.500 0.500 0.000 |
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