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: SrEr2O4.
The XRD pattern shows main peaks at: 12.2°(1.0), 15.2°(0.15), 19.2°(0.33), 19.9°(0.2), 27.6°(0.14), 28.6°(0.41), 29.5°(0.47), 30.3°(0.44), 30.7°(0.36), 33.9°(0.24), 34.3°(0.27), 40.2°(0.16), 40.9°(0.16), 41.8°(0.14), 43.3°(0.29), 44.0°(0.19), 49.2°(0.21), 50.1°(0.18), 57.1°(0.14), 65.5... | JVASP-94954 | 3.23 5.83 7.25
91 90 90
Sr 0.250 0.581 0.857
Er 0.750 0.551 0.355
Er 0.750 0.041 0.140
O 0.250 0.822 0.257
O 0.250 0.323 0.154
O 0.250 0.492 0.538
O 0.750 0.862 0.896 |
Below is a description of a material. | The chemical formula is: Yb2NiPd.
The XRD pattern shows main peaks at: 26.6°(0.13), 38.0°(1.0), 54.9°(0.18), 62.0°(0.06), 68.7°(0.36), 81.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157096 | 4.73 4.73 4.73
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Ni 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiSbSe2.
The XRD pattern shows main peaks at: 17.4°(0.68), 28.1°(0.24), 31.4°(1.0), 36.1°(0.21), 42.6°(0.15), 44.9°(0.74), 55.8°(0.28), 65.0°(0.05), 65.6°(0.06), 73.9°(0.12), 74.4°(0.15), 83.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-90485 | 8.05 10.68 7.01
29 54 41
Li 0.250 0.500 -0.000
Li 0.500 0.000 -0.000
Sb 0.000 0.000 0.000
Sb 0.750 0.500 0.000
Se 0.001 0.500 0.497
Se 0.499 0.500 0.503
Se 0.251 -0.000 0.497
Se 0.749 0.000 0.503 |
Below is a description of a material. | The chemical formula is: V2AuC.
The XRD pattern shows main peaks at: 13.3°(0.83), 26.9°(0.31), 35.2°(0.75), 36.1°(0.22), 39.5°(1.0), 40.8°(0.33), 41.8°(0.72), 51.1°(0.29), 58.7°(0.22), 62.6°(0.3), 71.8°(0.13), 76.6°(0.3), 77.5°(0.29), 78.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-193019 | 2.97 2.97 6.85
77 77 60
C -0.000 -0.000 0.000
Au 0.500 0.500 0.500
V 0.280 0.280 0.161
V 0.720 0.720 0.839 |
Below is a description of a material. | The chemical formula is: Ta3MnN6.
The XRD pattern shows main peaks at: 16.1°(0.07), 17.7°(0.07), 26.8°(0.17), 28.6°(0.05), 32.6°(0.2), 33.8°(1.0), 34.7°(0.13), 35.8°(0.24), 43.3°(0.07), 47.9°(0.13), 49.0°(0.12), 50.9°(0.07), 54.8°(0.08), 59.1°(0.11), 61.2°(0.12), 63.0°(0.11).
Generate atomic structure description with ... | JVASP-121664 | 5.02 7.60 5.50
90 89 90
Ta 0.042 0.250 0.932
Ta 0.958 0.750 0.068
Ta 0.475 0.250 0.411
Ta 0.525 0.750 0.589
Ta -0.000 0.500 0.500
Ta -0.000 0.000 0.500
Mn 0.500 0.500 -0.000
Mn 0.500 0.000 -0.000
N 0.670 0.923 0.310
N 0.330 0.423 0.690
N 0.188 0.079 0.183
N 0.812 0.579 0.817
N 0.812 0.921 0.817
N 0.159 0.750 0.426
N 0.... |
Below is a description of a material. | The chemical formula is: Nd2CdSb4.
The XRD pattern shows main peaks at: 21.9°(0.09), 24.6°(0.07), 26.2°(0.24), 30.0°(0.1), 32.1°(0.14), 33.3°(1.0), 39.1°(0.13), 41.2°(0.35), 46.8°(0.14), 49.5°(0.09), 53.2°(0.07), 53.8°(0.11), 58.1°(0.08), 59.7°(0.11), 64.1°(0.11), 70.2°(0.23).
Generate atomic structure description with... | JVASP-102699 | 4.38 4.38 10.84
90 90 90
Nd 0.500 0.000 0.764
Nd 0.000 0.500 0.236
Cd 0.500 0.500 0.500
Sb 0.500 0.000 0.327
Sb 0.000 0.500 0.673
Sb 0.500 0.500 0.000
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbInCl3.
The XRD pattern shows main peaks at: 16.3°(0.19), 23.1°(1.0), 28.4°(0.08), 32.9°(0.67), 40.5°(0.42), 47.2°(0.44), 58.7°(0.15), 68.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102418 | 7.71 7.71 7.71
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
In 0.500 0.500 0.500
In 0.000 0.000 0.000
Cl 0.766 0.234 0.234
Cl 0.234 0.234 0.766
Cl 0.234 0.766 0.766
Cl 0.234 0.766 0.234
Cl 0.766 0.234 0.766
Cl 0.766 0.766 0.234 |
Below is a description of a material. | The chemical formula is: Bi.
The XRD pattern shows main peaks at: 31.7°(1.0), 45.5°(0.18), 56.5°(0.41), 66.3°(0.12), 75.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25228 | 3.99 3.46 3.46
70 54 54
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbNi5.
The XRD pattern shows main peaks at: 22.5°(0.06), 31.0°(0.48), 36.9°(0.29), 42.8°(0.35), 43.6°(1.0), 45.8°(0.24), 60.2°(0.15), 62.8°(0.12), 64.5°(0.19), 71.1°(0.21), 78.4°(0.15), 83.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18760 | 4.88 4.88 3.96
90 90 120
Tb 0.000 0.000 0.000
Ni 0.667 0.333 0.000
Ni 0.333 0.667 0.000
Ni 0.500 0.500 0.500
Ni -0.000 0.500 0.500
Ni 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: BaSiO3.
The XRD pattern shows main peaks at: 23.2°(0.42), 33.1°(1.0), 40.8°(0.42), 47.5°(0.36), 53.5°(0.2), 59.1°(0.39), 69.4°(0.22), 74.3°(0.1), 79.1°(0.17), 83.8°(0.12), 88.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133942 | 3.83 3.83 3.83
90 90 90
Ba 0.000 0.000 0.000
Si 0.500 0.500 0.500
O 0.000 0.500 0.500
O 0.500 0.000 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiAlCu2.
The XRD pattern shows main peaks at: 29.6°(0.13), 42.4°(1.0), 61.5°(0.15), 77.5°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15444 | 4.27 4.27 4.27
60 60 60
Ti 0.500 0.500 0.500
Al 0.000 0.000 0.000
Cu 0.250 0.250 0.250
Cu 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YGe2.
The XRD pattern shows main peaks at: 27.5°(0.16), 33.7°(1.0), 35.0°(0.69), 44.1°(0.42), 45.7°(0.44), 58.8°(0.3), 65.4°(0.29), 66.6°(0.14), 76.7°(0.19), 84.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-4684 | 3.97 3.97 8.84
102 102 90
Y 0.875 0.625 0.250
Y 0.125 0.375 0.750
Ge 0.703 0.953 0.905
Ge 0.453 0.203 0.405
Ge 0.547 0.797 0.595
Ge 0.297 0.047 0.095 |
Below is a description of a material. | The chemical formula is: Pu5Pt3.
The XRD pattern shows main peaks at: 11.3°(0.08), 30.3°(0.38), 34.4°(0.41), 35.6°(1.0), 37.0°(0.09), 38.8°(0.1), 42.2°(0.47), 45.8°(0.13), 53.7°(0.11), 54.6°(0.09), 55.6°(0.13), 60.8°(0.14), 65.7°(0.16), 71.8°(0.16).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-153675 | 9.02 9.02 4.86
90 90 120
Pu 0.333 0.667 0.000
Pu 0.667 0.333 0.500
Pu 0.667 0.333 0.000
Pu 0.333 0.667 0.500
Pu 0.243 -0.000 0.250
Pu -0.000 0.243 0.250
Pu 0.757 0.757 0.250
Pu 0.757 0.000 0.750
Pu 0.000 0.757 0.750
Pu 0.243 0.243 0.750
Pt 0.593 1.000 0.250
Pt 1.000 0.593 0.250
Pt 0.407 0.407 0.250
Pt 0.407 0.000 0.750... |
Below is a description of a material. | The chemical formula is: Al4Tc.
The XRD pattern shows main peaks at: 10.0°(0.11), 17.5°(0.25), 18.1°(0.19), 20.2°(0.17), 22.8°(0.54), 23.1°(0.54), 26.8°(0.46), 27.5°(0.14), 35.3°(0.1), 39.6°(0.4), 39.9°(0.25), 41.0°(1.0), 41.8°(0.65), 42.6°(0.38), 43.1°(0.25), 44.8°(0.22), 45.3°(0.41), 47.3°(0.1), 60.6°(0.12), 62.8°(0.... | JVASP-154721 | 9.19 9.19 5.17
86 86 147
Al 0.853 0.853 0.504
Al 0.506 0.506 0.146
Al 0.264 0.417 0.680
Al 0.417 0.264 0.680
Al 0.061 0.300 0.215
Al 0.300 0.061 0.215
Al 0.940 0.693 0.811
Al 0.693 0.940 0.811
Al 0.086 0.555 0.592
Al 0.555 0.086 0.592
Al 0.228 0.726 0.071
Al 0.726 0.228 0.071
Tc 0.014 0.014 0.992
Tc 0.805 0.530 0.332
T... |
Below is a description of a material. | The chemical formula is: Be2CdOs.
The XRD pattern shows main peaks at: 20.4°(0.05), 28.1°(1.0), 40.8°(0.36), 41.4°(0.2), 42.9°(0.64), 53.8°(0.17), 59.5°(0.12), 61.8°(0.2), 69.6°(0.15), 70.0°(0.15), 76.5°(0.13), 79.5°(0.06), 84.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-70258 | 4.99 4.99 4.99
140 140 57
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Cd 0.500 0.500 0.000
Os 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Mg2Sb.
The XRD pattern shows main peaks at: 13.7°(1.0), 19.9°(0.17), 24.2°(0.81), 27.4°(0.54), 30.8°(0.31), 34.1°(0.58), 36.9°(0.54), 40.4°(0.17), 41.8°(0.12), 42.8°(0.13), 44.4°(0.49), 49.5°(0.2), 50.7°(0.14), 51.6°(0.15), 56.7°(0.1), 62.5°(0.11), 64.2°(0.12), 66.7°(0.12), 67.8°(0.14), 76.2°(0... | JVASP-135449 | 4.47 3.25 6.49
90 90 90
Mg -0.033 0.000 0.721
Mg -0.033 0.000 0.279
Sb 0.467 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NbMoRu2H.
The XRD pattern shows main peaks at: 39.1°(1.0), 45.5°(0.44), 66.2°(0.29), 79.7°(0.36), 84.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187516 | 3.99 3.99 3.99
90 90 90
Ru 0.000 0.500 0.000
Ru 0.500 -0.000 0.000
Mo 0.000 -0.000 0.500
Nb 0.500 0.500 0.500
H 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiMnF3.
The XRD pattern shows main peaks at: 19.1°(0.51), 20.4°(0.58), 23.3°(0.19), 32.3°(0.48), 33.9°(0.19), 39.2°(1.0), 39.9°(0.15), 47.6°(0.25), 50.0°(0.15), 52.5°(0.38), 53.4°(0.1), 59.7°(0.22), 60.7°(0.34), 74.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-48608 | 5.28 5.55 5.28
118 59 118
Li 0.145 0.434 0.145
Li 0.855 0.566 0.855
Mn 0.642 0.927 0.642
Mn 0.358 0.073 0.358
F 0.237 0.747 0.559
F 0.048 0.253 0.763
F 0.441 0.253 0.048
F 0.559 0.747 0.952
F 0.952 0.747 0.237
F 0.763 0.253 0.441 |
Below is a description of a material. | The chemical formula is: SmScS3.
The XRD pattern shows main peaks at: 16.6°(0.1), 18.6°(0.5), 20.8°(0.63), 26.5°(1.0), 27.8°(0.22), 32.0°(0.34), 33.9°(0.4), 34.4°(0.16), 36.0°(0.12), 37.8°(0.43), 39.0°(0.37), 40.6°(0.16), 41.7°(0.43), 47.6°(0.23), 48.3°(0.34), 50.1°(0.21), 62.4°(0.11), 62.9°(0.11), 64.4°(0.12), 80.0°(0... | JVASP-173663 | 6.43 7.11 9.52
90 90 90
Sm 0.539 0.399 0.991
Sm 0.461 0.601 0.491
Sm 0.039 0.101 0.491
Sm 0.961 0.899 0.991
Sc 0.000 0.500 0.241
Sc -0.000 0.500 0.741
Sc 0.500 0.000 0.741
Sc 0.500 1.000 0.241
S 0.825 0.185 0.806
S 0.175 0.815 0.306
S 0.325 0.315 0.306
S 0.675 0.685 0.806
S 0.825 0.185 0.176
S 0.175 0.815 0.676
S 0.325... |
Below is a description of a material. | The chemical formula is: Sn2Br.
The XRD pattern shows main peaks at: 17.1°(0.17), 17.4°(0.52), 26.9°(1.0), 29.6°(0.58), 30.2°(0.48), 32.2°(0.25), 34.5°(0.4), 35.3°(0.34), 40.4°(0.51), 40.9°(0.45), 44.3°(0.46), 44.9°(0.35), 46.7°(0.19), 54.7°(0.25), 55.4°(0.14), 64.4°(0.25), 66.1°(0.12), 67.0°(0.14), 71.1°(0.2), 72.8°(0... | JVASP-136178 | 5.91 3.32 6.04
90 59 90
Sn -0.088 0.000 0.044
Sn 0.021 0.000 0.490
Br 0.467 0.000 -0.134 |
Below is a description of a material. | The chemical formula is: La2Tl.
The XRD pattern shows main peaks at: 16.8°(0.08), 30.1°(1.0), 32.0°(0.78), 34.3°(0.64), 39.2°(0.25), 46.6°(0.16), 52.0°(0.11), 53.1°(0.4), 57.7°(0.27), 61.2°(0.22), 62.5°(0.13), 65.5°(0.12), 66.6°(0.1), 67.0°(0.1), 76.1°(0.07).
Generate atomic structure description with lattice lengths, ... | JVASP-179498 | 3.90 6.07 6.07
44 71 71
La 0.305 0.760 0.699
La 0.620 0.446 0.386
Tl 0.962 0.103 0.043 |
Below is a description of a material. | The chemical formula is: ErTmRh.
The XRD pattern shows main peaks at: 23.1°(0.13), 26.7°(0.33), 38.1°(1.0), 45.0°(0.07), 47.1°(0.1), 55.0°(0.17), 62.1°(0.13), 68.8°(0.33), 81.5°(0.11), 87.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160496 | 4.72 4.72 4.72
60 60 60
Er 0.250 0.250 0.250
Tm 0.750 0.750 0.750
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sb3AsS6.
The XRD pattern shows main peaks at: 11.1°(0.16), 15.3°(0.15), 17.3°(0.51), 22.3°(0.16), 24.4°(0.5), 25.5°(0.36), 25.9°(0.27), 28.3°(0.22), 29.5°(0.65), 32.5°(1.0), 33.9°(0.3), 35.0°(0.42), 39.0°(0.24), 39.9°(0.16), 42.3°(0.14), 43.5°(0.21), 47.1°(0.29), 47.7°(0.44), 52.5°(0.18), 60.5°... | JVASP-141419 | 3.82 10.97 11.59
90 90 90
Sb 0.500 0.585 0.468
Sb 0.500 0.415 0.968
Sb 0.500 0.215 0.647
Sb 0.500 0.785 0.147
Sb 0.000 0.278 0.349
Sb 0.000 0.722 0.849
As 0.000 0.930 0.545
As 0.000 0.070 0.045
S 0.000 0.950 0.210
S 0.000 0.050 0.710
S 0.000 0.299 0.871
S 0.000 0.701 0.371
S 0.500 0.188 0.120
S 0.000 0.628 0.047
S 0.50... |
Below is a description of a material. | The chemical formula is: AlRe2.
The XRD pattern shows main peaks at: 18.3°(0.33), 31.2°(0.31), 41.0°(1.0), 42.6°(0.44), 46.7°(0.12), 56.5°(0.08), 57.0°(0.1), 61.8°(0.15), 73.7°(0.17), 76.9°(0.31), 89.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16382 | 3.00 3.00 5.29
106 106 89
Al 0.000 0.000 0.000
Re 0.331 0.331 0.663
Re 0.669 0.669 0.337 |
Below is a description of a material. | The chemical formula is: SrSnAs.
The XRD pattern shows main peaks at: 9.9°(0.08), 26.8°(1.0), 30.0°(0.34), 33.6°(0.05), 38.2°(0.38), 40.7°(0.57), 49.4°(0.32), 55.2°(0.13), 62.4°(0.18), 64.1°(0.16), 70.8°(0.22), 89.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135685 | 3.33 3.33 8.93
90 90 90
Sr 0.000 0.000 -0.071
Sn 0.000 0.000 0.564
As 0.000 0.000 0.264 |
Below is a description of a material. | The chemical formula is: LiV2OF5.
The XRD pattern shows main peaks at: 19.4°(0.25), 21.4°(0.49), 27.0°(1.0), 33.5°(0.18), 35.1°(0.3), 40.2°(0.38), 43.3°(0.15), 44.5°(0.09), 53.1°(0.44), 55.7°(0.23), 62.9°(0.05), 67.5°(0.24), 86.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-47023 | 4.67 4.67 10.26
90 116 90
Li 0.001 0.757 0.001
Li 0.001 0.243 0.501
V 0.355 0.274 0.835
V 0.671 0.742 0.680
V 0.355 0.726 0.335
V 0.671 0.258 0.180
O 0.602 0.543 0.812
O 0.602 0.457 0.312
F 0.364 0.949 0.168
F 0.039 0.039 0.331
F 0.306 0.553 0.502
F 0.695 0.939 0.504
F 0.306 0.447 0.002
F 0.967 0.446 0.667
F 0.039 0.96... |
Below is a description of a material. | The chemical formula is: ThAl2Co3.
The XRD pattern shows main peaks at: 19.9°(0.17), 21.1°(0.27), 21.5°(0.43), 29.5°(0.77), 30.3°(0.2), 34.0°(0.36), 36.2°(0.39), 40.6°(0.41), 42.5°(1.0), 43.9°(0.31), 56.7°(0.16), 58.2°(0.29), 61.2°(0.16), 62.0°(0.13), 66.8°(0.25), 70.8°(0.08), 71.6°(0.07), 76.9°(0.11), 79.8°(0.14), 88.... | JVASP-104919 | 4.97 4.97 4.12
90 90 116
Th 0.500 0.500 0.000
Al -0.000 0.500 0.500
Al 0.500 -0.000 0.500
Co 0.161 0.839 0.000
Co 0.839 0.161 0.000
Co 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Li2MnF4.
The XRD pattern shows main peaks at: 16.5°(1.0), 24.7°(0.47), 25.2°(0.92), 33.2°(0.21), 34.0°(0.54), 37.6°(0.37), 37.9°(0.49), 38.7°(0.36), 41.7°(0.18), 48.2°(0.55), 50.7°(0.22), 54.9°(0.23), 55.4°(0.1), 59.0°(0.16), 60.7°(0.11), 61.4°(0.31), 62.7°(0.08), 63.7°(0.15), 66.6°(0.09), 82.9... | JVASP-169612 | 5.90 5.29 6.11
90 126 90
Li 0.974 0.208 0.623
Li 0.474 0.641 0.123
Li 0.526 0.141 0.877
Li 0.026 0.708 0.377
Mn 0.250 0.175 0.250
Mn 0.750 0.675 0.750
F 0.157 0.833 0.022
F 0.180 0.028 0.529
F 0.343 0.516 0.479
F 0.321 0.322 0.971
F 0.679 0.822 0.029
F 0.657 0.016 0.521
F 0.820 0.528 0.471
F 0.843 0.333 0.978 |
Below is a description of a material. | The chemical formula is: BeAgMo.
The XRD pattern shows main peaks at: 16.0°(0.17), 32.4°(0.35), 33.9°(0.57), 41.2°(1.0), 47.1°(0.36), 49.5°(0.1), 58.4°(0.23), 68.7°(0.23), 70.7°(0.12), 78.2°(0.1), 79.0°(0.1), 83.5°(0.25), 89.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-67700 | 5.85 5.85 5.85
153 153 38
Be 0.334 0.334 0.000
Ag 0.981 0.981 -0.000
Mo 0.685 0.685 -0.000 |
Below is a description of a material. | The chemical formula is: MgCd3.
The XRD pattern shows main peaks at: 16.6°(0.09), 18.1°(0.09), 24.7°(0.08), 31.5°(0.22), 33.6°(0.09), 36.6°(1.0), 38.4°(0.34), 49.1°(0.13), 50.5°(0.05), 54.8°(0.08), 58.8°(0.11), 65.9°(0.13), 67.2°(0.06), 67.8°(0.07), 68.9°(0.11), 71.3°(0.13).
Generate atomic structure description with l... | JVASP-171021 | 3.35 4.90 5.34
90 90 90
Mg -0.000 0.500 0.337
Cd -0.000 0.000 0.004
Cd 0.500 -0.000 0.495
Cd 0.500 0.500 0.831 |
Below is a description of a material. | The chemical formula is: ZnH2O2.
The XRD pattern shows main peaks at: 20.2°(1.0), 21.1°(0.84), 27.5°(0.68), 27.8°(0.51), 33.0°(0.47), 36.0°(0.11), 36.7°(0.1), 38.8°(0.07), 40.0°(0.4), 40.7°(0.35), 42.1°(0.16), 42.8°(0.26), 47.8°(0.09), 49.4°(0.09), 52.8°(0.14), 56.7°(0.29), 58.5°(0.16), 59.5°(0.23), 60.5°(0.1), 61.5°(0... | JVASP-54743 | 4.83 8.58 5.10
90 89 90
Zn 0.677 0.633 0.642
Zn 0.823 0.380 0.142
Zn 0.177 0.880 0.858
Zn 0.323 0.133 0.358
H 0.289 0.417 0.360
H 0.211 0.596 0.860
H 0.711 0.917 0.640
H 0.789 0.096 0.140
H 0.995 0.909 0.329
H 0.005 0.409 0.671
H 0.495 0.604 0.171
H 0.505 0.104 0.829
O 0.363 0.675 0.885
O 0.569 0.533 0.312
O 0.931 0.48... |
Below is a description of a material. | The chemical formula is: AgSbTe2.
The XRD pattern shows main peaks at: 29.2°(1.0), 41.7°(0.79), 51.7°(0.28), 60.5°(0.12), 68.5°(0.17), 76.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154641 | 8.66 8.66 8.66
60 60 60
Ag 0.000 0.000 0.000
Ag 0.500 0.500 0.000
Ag 0.500 -0.000 0.500
Ag 0.500 -0.000 0.000
Sb 0.500 0.500 0.500
Sb -0.000 0.000 0.500
Sb -0.000 0.500 0.000
Sb -0.000 0.500 0.500
Te 0.255 0.755 0.236
Te 0.745 0.245 0.764
Te 0.745 0.245 0.245
Te 0.255 0.755 0.755
Te 0.745 0.764 0.245
Te 0.255 0.236 0.7... |
Below is a description of a material. | The chemical formula is: RbSn2Sb2.
The XRD pattern shows main peaks at: 13.7°(0.42), 17.9°(0.15), 26.5°(0.95), 27.2°(0.83), 33.4°(1.0), 36.4°(0.71), 38.5°(0.13), 43.1°(0.49), 48.0°(0.36), 48.5°(0.39), 51.9°(0.11), 55.6°(0.11), 56.1°(0.22), 56.8°(0.09), 61.7°(0.31), 66.5°(0.14), 67.5°(0.23), 70.6°(0.27), 76.5°(0.09), 80... | JVASP-155784 | 7.51 7.51 7.51
138 138 60
Rb 0.000 0.000 0.000
Sn 0.750 0.250 0.500
Sn 0.250 0.750 0.500
Sb 0.363 0.363 -0.000
Sb 0.637 0.637 -0.000 |
Below is a description of a material. | The chemical formula is: K2AlAgF6.
The XRD pattern shows main peaks at: 18.3°(0.22), 21.1°(0.38), 30.0°(1.0), 35.4°(0.35), 43.0°(0.59), 47.1°(0.24), 53.4°(0.34), 62.5°(0.28), 70.9°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168335 | 5.95 5.95 5.95
60 60 60
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Al -0.000 0.000 0.000
Ag 0.500 0.500 0.500
F 0.217 0.783 0.217
F 0.783 0.783 0.217
F 0.783 0.217 0.783
F 0.783 0.217 0.217
F 0.217 0.783 0.783
F 0.217 0.217 0.783 |
Below is a description of a material. | The chemical formula is: Mn2CoGe.
The XRD pattern shows main peaks at: 44.7°(1.0), 65.1°(0.16), 82.5°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18190 | 4.05 4.05 4.05
60 60 60
Mn 0.000 0.000 0.000
Mn 0.750 0.750 0.750
Co 0.500 0.500 0.500
Ge 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LaTaO4.
The XRD pattern shows main peaks at: 19.8°(0.14), 23.2°(0.21), 24.1°(0.19), 28.1°(0.98), 28.9°(1.0), 31.6°(0.35), 33.0°(0.31), 38.0°(0.21), 40.2°(0.1), 43.4°(0.18), 45.7°(0.22), 49.0°(0.1), 50.2°(0.28), 52.2°(0.2), 54.2°(0.13), 55.0°(0.26), 56.6°(0.14), 63.6°(0.11), 71.8°(0.13), 73.9°(0... | JVASP-152218 | 7.63 7.63 5.66
90 90 149
La 0.171 0.829 0.856
La 0.829 0.171 0.356
Ta 0.415 0.585 0.809
Ta 0.585 0.415 0.309
O 0.300 0.700 0.602
O 0.700 0.300 0.102
O 0.336 0.664 0.079
O 0.664 0.336 0.579
O 0.468 0.532 0.464
O 0.532 0.468 0.964
O 0.913 0.087 0.777
O 0.087 0.913 0.277 |
Below is a description of a material. | The chemical formula is: BeTlSb2.
The XRD pattern shows main peaks at: 18.8°(0.39), 27.2°(0.32), 33.3°(1.0), 38.1°(0.33), 39.5°(0.16), 42.9°(0.09), 44.1°(0.09), 47.5°(0.14), 55.0°(0.11), 56.1°(0.23), 59.7°(0.08), 65.9°(0.26), 67.7°(0.13), 69.9°(0.11).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-74652 | 4.72 4.72 4.56
90 90 90
Be 0.000 0.000 0.500
Tl 0.500 0.500 0.500
Sb 0.000 0.500 0.000
Sb 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: U4B3C5.
The XRD pattern shows main peaks at: 15.0°(0.05), 25.4°(0.62), 30.2°(0.55), 31.4°(1.0), 33.3°(0.61), 37.8°(0.9), 43.7°(0.28), 45.6°(0.08), 49.8°(0.17), 54.0°(0.42), 56.7°(0.12), 59.3°(0.18), 60.0°(0.34), 63.1°(0.12), 65.5°(0.13), 67.4°(0.19), 78.7°(0.13), 82.7°(0.06), 85.3°(0.09), 86.6°... | JVASP-176378 | 3.25 3.67 11.85
90 90 90
U 0.250 0.000 0.140
U 0.250 0.500 0.634
U 0.750 0.500 0.365
U 0.750 -0.000 0.861
B 0.250 0.500 0.966
B 0.750 0.500 0.035
B 0.750 0.000 0.531
C 0.250 -0.000 0.340
C 0.250 0.500 0.833
C 0.750 0.500 0.168
C 0.750 -0.000 0.663
C 0.250 -0.000 0.465 |
Below is a description of a material. | The chemical formula is: La2NiO4.
The XRD pattern shows main peaks at: 24.5°(0.28), 27.4°(0.14), 31.3°(1.0), 33.5°(0.76), 41.5°(0.1), 42.1°(0.27), 43.8°(0.33), 48.1°(0.37), 54.4°(0.11), 54.9°(0.14), 56.3°(0.09), 58.6°(0.35), 65.4°(0.1), 65.8°(0.13), 67.3°(0.09), 70.4°(0.11), 76.0°(0.1), 77.2°(0.1), 80.3°(0.11), 86.7°(0... | JVASP-149506 | 7.05 7.05 7.05
148 148 44
La 0.363 0.363 0.000
La 0.637 0.637 0.000
Ni 0.000 0.000 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500
O 0.182 0.182 0.000
O 0.818 0.818 0.000 |
Below is a description of a material. | The chemical formula is: Ca3Lu.
The XRD pattern shows main peaks at: 13.7°(0.23), 20.0°(0.5), 23.9°(0.25), 27.7°(0.23), 29.3°(0.27), 31.4°(1.0), 38.1°(0.14), 39.8°(0.21), 40.7°(0.16), 48.9°(0.18), 53.3°(0.2), 58.1°(0.2), 59.3°(0.15), 81.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-110757 | 7.45 7.45 6.10
90 90 120
Ca 0.341 0.171 0.750
Ca 0.829 0.659 0.750
Ca 0.171 0.829 0.250
Ca 0.659 0.829 0.250
Ca 0.171 0.341 0.250
Ca 0.829 0.171 0.750
Lu 0.667 0.333 0.250
Lu 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Mn2AlW.
The XRD pattern shows main peaks at: 26.2°(0.67), 30.3°(0.12), 43.5°(1.0), 51.4°(0.29), 63.1°(0.17), 69.6°(0.13), 71.6°(0.05), 79.8°(0.33), 85.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41231 | 4.17 4.17 4.17
60 60 60
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.500
Al 0.250 0.250 0.250
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Sc2TaO3.
The XRD pattern shows main peaks at: 19.6°(0.7), 29.7°(0.12), 34.3°(0.87), 35.9°(1.0), 39.8°(0.31), 50.5°(0.62), 61.4°(0.16), 62.4°(0.39), 72.6°(0.19), 76.0°(0.08), 83.4°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184611 | 5.23 5.23 3.00
90 90 120
Sc 0.667 0.333 0.500
Sc 0.333 0.667 0.500
Ta 0.000 0.000 0.000
O 0.500 0.000 -0.000
O 0.000 0.500 0.000
O 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Be2TeSe.
The XRD pattern shows main peaks at: 23.6°(0.1), 27.3°(1.0), 39.0°(0.96), 48.2°(0.28), 56.3°(0.16), 63.7°(0.33), 70.6°(0.33), 83.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-72570 | 4.62 4.62 4.62
119 119 90
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
Te 0.750 0.250 0.500
Se 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: HoNi4As2.
The XRD pattern shows main peaks at: 26.6°(0.14), 35.1°(0.26), 36.6°(1.0), 39.4°(0.4), 42.7°(0.27), 44.6°(0.08), 46.4°(0.43), 48.2°(0.27), 52.2°(0.13), 58.0°(0.12), 61.0°(0.1), 64.0°(0.17), 65.9°(0.07), 69.6°(0.2), 73.7°(0.09), 75.1°(0.14), 82.2°(0.09), 85.7°(0.07), 88.7°(0.06).
Gener... | JVASP-178341 | 3.77 7.23 7.23
90 90 90
Ho -0.000 0.500 0.500
Ho 0.500 -0.000 -0.000
Ni 0.500 0.153 0.588
Ni 0.500 0.847 0.412
Ni 0.000 0.347 0.088
Ni -0.000 0.653 0.912
Ni 0.500 0.588 0.153
Ni 0.500 0.412 0.847
Ni -0.000 0.088 0.347
Ni 0.000 0.912 0.653
As 0.500 0.718 0.718
As 0.500 0.282 0.282
As -0.000 0.782 0.218
As 0.000 0.218 0.... |
Below is a description of a material. | The chemical formula is: LiCu3.
The XRD pattern shows main peaks at: 11.8°(0.66), 23.7°(0.1), 35.2°(0.08), 37.3°(0.1), 42.9°(1.0), 48.6°(0.17), 50.6°(0.27), 51.2°(0.09), 52.2°(0.06), 72.8°(0.18), 74.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194065 | 2.55 2.55 7.50
90 90 90
Cu 0.500 0.500 0.742
Cu 0.000 -0.000 0.500
Cu 0.500 0.500 0.258
Li 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: ScAgP2S6.
The XRD pattern shows main peaks at: 13.7°(0.66), 17.9°(0.08), 26.6°(0.36), 28.8°(0.17), 32.0°(1.0), 34.1°(0.09), 38.7°(0.24), 40.4°(0.41), 49.7°(0.1), 51.1°(0.3), 53.1°(0.11), 57.8°(0.12), 61.6°(0.13), 67.0°(0.07), 73.5°(0.08), 84.0°(0.1).
Generate atomic structure description with l... | JVASP-4606 | 6.20 6.20 12.90
90 90 120
Sc 0.000 0.000 0.250
Sc 0.000 0.000 0.750
Ag 0.333 0.667 0.250
Ag 0.667 0.333 0.750
P 0.667 0.333 0.337
P 0.667 0.333 0.163
P 0.333 0.667 0.663
P 0.333 0.667 0.837
S 0.306 0.337 0.620
S 0.031 0.694 0.620
S 0.663 0.969 0.620
S 0.031 0.337 0.880
S 0.663 0.694 0.880
S 0.337 0.031 0.380
S 0.694 0.... |
Below is a description of a material. | The chemical formula is: MgInBr.
The XRD pattern shows main peaks at: 18.6°(0.42), 26.4°(0.46), 32.5°(1.0), 37.6°(0.07), 42.3°(0.81), 46.6°(0.08), 54.5°(0.06), 57.9°(0.26), 64.8°(0.39), 67.9°(0.09), 74.3°(0.15), 83.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-117801 | 5.52 5.52 3.37
90 90 120
Mg 0.667 0.333 0.000
In 0.333 0.667 0.000
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbCuSi.
The XRD pattern shows main peaks at: 24.8°(0.31), 27.4°(0.05), 34.4°(1.0), 43.6°(0.42), 48.0°(0.1), 54.7°(0.08), 56.6°(0.23), 66.8°(0.23), 74.1°(0.23), 80.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15591 | 4.15 4.15 7.59
90 90 120
Tb 0.000 0.000 0.000
Tb 0.000 0.000 0.500
Cu 0.333 0.667 0.750
Cu 0.667 0.333 0.250
Si 0.667 0.333 0.750
Si 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: ScZnO4.
The XRD pattern shows main peaks at: 19.0°(0.16), 26.5°(0.8), 27.3°(0.77), 33.9°(1.0), 38.4°(0.15), 38.8°(0.25), 43.7°(0.11), 51.7°(0.55), 52.6°(0.5), 54.7°(0.13), 56.3°(0.14), 57.5°(0.17), 62.2°(0.08), 63.3°(0.09), 64.4°(0.12), 64.8°(0.11), 66.6°(0.34), 71.3°(0.07), 83.4°(0.06), 84.7°(... | JVASP-184623 | 4.68 4.68 3.21
90 90 88
Sc 0.500 0.500 0.500
Zn -0.000 -0.000 0.000
O 0.190 0.190 0.500
O 0.702 0.298 0.000
O 0.298 0.702 0.000
O 0.810 0.810 0.500 |
Below is a description of a material. | The chemical formula is: TiO2.
The XRD pattern shows main peaks at: 18.2°(0.12), 18.9°(1.0), 21.2°(0.7), 30.7°(0.39), 35.1°(0.81), 35.5°(0.4), 36.3°(0.16), 43.3°(0.64), 58.0°(0.26), 61.8°(0.4), 63.9°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10806 | 5.83 6.01 6.01
60 59 59
Ti 0.273 0.242 0.242
Ti 0.638 0.100 0.631
Ti 0.638 0.631 0.100
Ti 0.638 0.631 0.631
O 0.397 0.367 0.367
O 0.397 0.367 0.868
O 0.397 0.868 0.367
O 0.854 0.382 0.382
O 0.402 0.866 0.866
O 0.832 0.420 0.874
O 0.832 0.874 0.420
O 0.832 0.874 0.874 |
Below is a description of a material. | The chemical formula is: SnTe.
The XRD pattern shows main peaks at: 27.8°(1.0), 39.8°(0.75), 49.2°(0.28), 57.5°(0.14), 65.1°(0.35), 72.2°(0.28), 85.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7860 | 4.53 4.53 4.53
60 60 60
Sn 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeN2.
The XRD pattern shows main peaks at: 24.6°(0.1), 31.5°(1.0), 35.4°(0.26), 43.5°(0.21), 48.1°(0.15), 54.7°(0.2), 63.1°(0.06), 65.7°(0.07), 72.2°(0.08), 83.4°(0.06), 87.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136524 | 3.62 2.84 2.54
90 90 90
Be 0.800 0.000 0.133
N -0.531 0.000 -0.367
N 0.131 0.000 -0.367 |
Below is a description of a material. | The chemical formula is: MoW3Se4S4.
The XRD pattern shows main peaks at: 2.6°(1.0), 5.2°(0.22), 7.9°(0.06), 13.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28969 | 3.26 3.26 33.72
90 90 120
Mo 0.666 0.333 0.277
W 0.333 0.665 0.093
W 0.334 0.667 0.467
W 0.668 0.335 0.665
Se 0.334 0.669 0.716
Se 0.667 0.333 0.417
Se 0.667 0.334 0.518
Se 0.334 0.668 0.615
S 0.333 0.666 0.323
S 0.666 0.332 0.047
S 0.666 0.332 0.139
S 0.333 0.666 0.231 |
Below is a description of a material. | The chemical formula is: Ba4NbIr.
The XRD pattern shows main peaks at: 16.2°(0.06), 26.6°(0.28), 31.3°(1.0), 32.8°(0.36), 47.0°(0.12), 50.0°(0.33), 54.8°(0.29), 62.0°(0.05), 64.5°(0.13), 65.4°(0.15), 75.1°(0.06), 77.4°(0.23), 89.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-66208 | 6.70 6.70 6.70
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
Nb 0.000 0.000 0.000
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: GaSb.
The XRD pattern shows main peaks at: 23.5°(0.98), 24.7°(0.66), 26.6°(0.88), 34.4°(0.42), 41.4°(0.95), 44.7°(1.0), 48.2°(0.14), 48.8°(0.62), 49.9°(0.17), 54.9°(0.07), 62.6°(0.32), 66.8°(0.13), 69.9°(0.23), 75.5°(0.15), 77.8°(0.38), 80.8°(0.13), 84.6°(0.14).
Generate atomic structure descri... | JVASP-35711 | 4.36 4.36 7.21
90 90 120
Ga 0.667 0.333 0.501
Ga 0.333 0.667 0.001
Sb 0.667 0.333 0.874
Sb 0.333 0.667 0.374 |
Below is a description of a material. | The chemical formula is: KRbO.
The XRD pattern shows main peaks at: 13.2°(0.41), 26.6°(0.16), 30.5°(1.0), 33.0°(0.11), 38.5°(0.35), 39.0°(0.35), 40.3°(0.09), 41.4°(0.1), 45.0°(0.06), 47.9°(0.12), 49.4°(0.1), 56.4°(0.12), 57.4°(0.12), 62.2°(0.11), 63.4°(0.06), 65.5°(0.21), 70.4°(0.1), 71.6°(0.06), 83.3°(0.06), 88.9°(0.0... | JVASP-50168 | 4.61 4.61 6.71
90 90 90
K 0.000 0.500 0.393
K 0.500 0.000 0.607
Rb 0.000 0.000 0.000
Rb 0.500 0.500 0.000
O 0.000 0.500 0.760
O 0.500 0.000 0.240 |
Below is a description of a material. | The chemical formula is: LuOs3.
The XRD pattern shows main peaks at: 36.1°(0.24), 39.3°(0.24), 41.3°(1.0), 54.4°(0.14), 64.9°(0.18), 72.6°(0.18), 78.6°(0.21), 79.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39354 | 5.75 5.75 4.58
90 90 120
Lu 0.333 0.667 0.250
Lu 0.667 0.333 0.750
Os 0.163 0.837 0.750
Os 0.674 0.837 0.750
Os 0.163 0.326 0.750
Os 0.837 0.163 0.250
Os 0.326 0.163 0.250
Os 0.837 0.674 0.250 |
Below is a description of a material. | The chemical formula is: Ca3Se.
The XRD pattern shows main peaks at: 17.9°(0.08), 25.4°(0.08), 31.2°(1.0), 36.2°(0.48), 52.1°(0.32), 62.0°(0.36), 65.1°(0.1), 85.2°(0.14), 87.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129892 | 4.97 4.97 4.97
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li3Co5OF11.
The XRD pattern shows main peaks at: 10.8°(0.32), 18.6°(1.0), 21.0°(0.55), 23.7°(0.52), 24.0°(0.46), 32.1°(0.51), 32.9°(0.34), 35.0°(0.28), 35.7°(0.27), 36.1°(0.23), 39.7°(0.61), 40.3°(0.56), 41.3°(0.56), 48.9°(0.26), 52.0°(0.31), 52.4°(0.42), 53.3°(0.32), 53.9°(0.28), 63.0°(0.25), ... | JVASP-48423 | 5.13 5.61 8.86
68 105 116
Li 0.790 0.626 0.943
Li 0.291 0.147 0.418
Li 0.213 0.360 0.071
Co 0.483 0.125 0.840
Co 0.978 0.644 0.343
Co 0.012 0.391 0.660
Co 0.515 0.867 0.157
Co 0.748 0.867 0.575
O 0.965 0.719 0.532
F 0.443 0.879 0.373
F 0.064 0.636 0.133
F 0.037 0.275 0.465
F 0.518 0.759 0.960
F 0.024 0.970 0.786
F 0.93... |
Below is a description of a material. | The chemical formula is: NdMgAg2.
The XRD pattern shows main peaks at: 21.6°(0.22), 35.7°(1.0), 42.1°(0.12), 51.3°(0.18), 56.3°(0.05), 64.1°(0.35), 75.5°(0.11), 86.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39973 | 5.03 5.03 5.03
60 60 60
Nd 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Ag 0.500 0.500 0.500
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Si.
The XRD pattern shows main peaks at: 18.9°(0.1), 26.7°(0.08), 32.7°(1.0), 33.2°(0.37), 50.8°(0.35), 51.2°(0.29), 51.8°(0.18), 54.9°(0.24), 79.1°(0.07), 82.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25255 | 5.82 5.82 5.82
109 109 109
Si 0.019 0.716 0.521
Si 0.981 0.284 0.479
Si 0.714 0.714 0.714
Si 0.284 0.479 0.981
Si 0.479 0.981 0.284
Si 0.716 0.521 0.019
Si 0.286 0.286 0.286
Si 0.521 0.019 0.716 |
Below is a description of a material. | The chemical formula is: Ba4ScCu.
The XRD pattern shows main peaks at: 15.1°(0.43), 24.8°(0.08), 29.2°(1.0), 30.5°(0.68), 35.4°(0.21), 38.7°(0.13), 46.5°(0.36), 50.9°(0.36), 53.4°(0.1), 59.8°(0.12), 60.5°(0.28), 63.5°(0.05), 65.7°(0.06), 71.4°(0.22), 74.9°(0.05), 82.3°(0.07), 83.0°(0.06).
Generate atomic structure desc... | JVASP-64840 | 7.18 7.18 7.18
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
Sc 0.000 0.000 0.000
Cu 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li6NiOF6.
The XRD pattern shows main peaks at: 6.1°(1.0), 12.2°(0.24), 18.3°(0.12), 24.5°(0.07), 31.7°(0.15), 32.9°(0.13), 35.2°(0.09), 42.4°(0.1), 45.2°(0.33), 47.0°(0.06), 65.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-46904 | 2.84 2.84 14.69
95 95 90
Li 0.575 0.575 0.151
Li 0.147 0.147 0.293
Li 0.715 0.715 0.431
Li 0.285 0.285 0.569
Li 0.853 0.853 0.707
Li 0.425 0.425 0.849
Ni 0.000 0.000 0.000
O 0.500 0.500 0.000
F 0.078 0.078 0.155
F 0.646 0.646 0.292
F 0.215 0.215 0.431
F 0.785 0.785 0.569
F 0.354 0.354 0.708
F 0.922 0.922 0.845 |
Below is a description of a material. | The chemical formula is: YbMnGe.
The XRD pattern shows main peaks at: 20.4°(0.15), 26.4°(0.09), 30.6°(0.3), 33.6°(0.7), 37.1°(1.0), 40.8°(0.3), 41.5°(0.27), 46.1°(0.08), 52.5°(0.12), 54.4°(0.08), 56.8°(0.15), 59.7°(0.19), 61.0°(0.27), 70.7°(0.12), 72.8°(0.27), 74.0°(0.1), 78.1°(0.08).
Generate atomic structure descript... | JVASP-14015 | 6.75 6.75 4.35
90 90 119
Yb 0.435 0.435 0.000
Yb -0.000 0.565 0.000
Yb 0.565 -0.000 0.000
Mn -0.000 0.229 0.500
Mn 0.229 -0.000 0.500
Mn 0.771 0.771 0.500
Ge 0.333 0.667 0.500
Ge 0.000 0.000 0.000
Ge 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Zr4CuNi.
The XRD pattern shows main peaks at: 35.1°(1.0), 38.7°(0.1), 40.0°(0.25), 43.5°(0.38), 44.7°(0.27), 60.8°(0.14), 62.7°(0.17), 67.6°(0.12), 70.9°(0.17), 89.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109124 | 5.32 5.32 5.32
103 103 122
Zr 0.410 0.910 0.820
Zr 0.090 0.590 0.180
Zr 0.590 0.410 0.500
Zr 0.910 0.090 0.500
Cu 0.500 0.500 -0.000
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaBeGa.
The XRD pattern shows main peaks at: 12.8°(1.0), 25.8°(0.28), 34.8°(0.29), 37.3°(0.98), 39.1°(0.17), 43.8°(0.56), 53.3°(0.22), 62.5°(0.15), 64.1°(0.09), 64.9°(0.18), 68.7°(0.11), 75.0°(0.11), 76.2°(0.14), 78.5°(0.07), 79.4°(0.09).
Generate atomic structure description with lattice lengt... | JVASP-67071 | 2.97 2.97 6.92
90 90 119
Na 0.333 0.667 0.670
Be 0.000 0.000 0.033
Ga 0.667 0.333 0.297 |
Below is a description of a material. | The chemical formula is: TaV2Ga.
The XRD pattern shows main peaks at: 15.4°(0.25), 27.7°(0.3), 31.1°(0.11), 31.8°(0.22), 39.5°(0.58), 42.1°(1.0), 42.7°(0.08), 51.2°(0.12), 57.2°(0.2), 64.9°(0.07), 66.5°(0.06), 73.5°(0.39), 78.8°(0.15), 85.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-192133 | 3.22 3.22 5.75
90 90 90
V -0.000 0.000 0.760
V 0.000 -0.000 0.240
Ga 0.500 0.500 0.000
Ta 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AgAuS2.
The XRD pattern shows main peaks at: 18.5°(0.16), 22.9°(0.18), 24.4°(1.0), 28.0°(0.64), 29.6°(0.95), 32.1°(0.31), 37.4°(0.16), 44.2°(0.53), 46.8°(0.16), 47.4°(0.51), 50.1°(0.18), 52.7°(0.15), 53.5°(0.26), 54.7°(0.18), 57.9°(0.12), 60.1°(0.14), 68.2°(0.12), 71.0°(0.12), 73.2°(0.12), 79.4... | JVASP-31186 | 4.81 5.58 7.76
90 90 90
Ag 0.000 0.500 0.250
Ag 0.000 0.500 0.750
Au 0.500 0.000 0.000
Au 0.500 0.000 0.500
S 0.675 0.381 0.000
S 0.675 0.619 0.500
S 0.325 0.381 0.500
S 0.325 0.619 0.000 |
Below is a description of a material. | The chemical formula is: GeO2.
The XRD pattern shows main peaks at: 15.2°(0.16), 21.4°(0.09), 23.3°(1.0), 26.1°(0.86), 26.6°(0.13), 28.0°(0.71), 35.0°(0.32), 35.4°(0.66), 38.1°(0.3), 39.0°(0.13), 44.0°(0.21), 45.0°(0.11), 46.7°(0.21), 53.6°(0.1), 54.3°(0.1), 54.7°(0.11), 57.9°(0.1), 60.6°(0.11), 61.6°(0.12), 65.1°(0.1)... | JVASP-150253 | 5.15 4.72 5.90
84 99 118
Ge 0.731 0.038 0.315
Ge -0.011 0.591 0.702
Ge 0.310 0.238 -0.026
O 0.399 0.120 0.251
O -0.002 0.429 0.453
O 0.655 0.643 0.673
O 0.003 0.328 0.944
O 0.283 -0.016 0.758
O 0.630 0.628 -0.070 |
Below is a description of a material. | The chemical formula is: TaCr2O3.
The XRD pattern shows main peaks at: 21.1°(0.35), 29.8°(0.07), 36.9°(1.0), 42.9°(0.15), 53.1°(0.39), 61.9°(0.06), 66.5°(0.34), 74.4°(0.13), 78.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178785 | 4.87 4.87 3.00
90 90 120
Ta -0.000 0.000 0.000
Cr 0.667 0.333 0.500
Cr 0.333 0.667 0.500
O 0.500 0.000 0.000
O 0.000 0.500 -0.000
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NiRu.
The XRD pattern shows main peaks at: 21.6°(0.08), 39.3°(0.29), 44.0°(0.22), 45.3°(1.0), 60.5°(0.16), 71.2°(0.14), 81.9°(0.16), 87.7°(0.18), 88.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128177 | 2.65 2.65 4.11
90 90 119
Ni 0.667 0.333 0.750
Ru 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: LiPdF.
The XRD pattern shows main peaks at: 14.2°(1.0), 28.7°(0.24), 32.8°(0.56), 35.9°(0.43), 43.6°(0.11), 44.1°(0.28), 47.1°(0.19), 49.4°(0.17), 55.6°(0.2), 56.1°(0.14), 66.1°(0.12), 68.8°(0.06), 69.5°(0.05), 70.7°(0.05), 76.2°(0.05), 78.3°(0.08), 80.1°(0.09), 85.4°(0.08).
Generate atomic str... | JVASP-138827 | 2.73 2.73 6.22
90 90 90
Li 0.000 0.000 0.612
Pd 0.000 0.000 0.007
F 0.000 0.000 0.351 |
Below is a description of a material. | The chemical formula is: YbSe2.
The XRD pattern shows main peaks at: 17.8°(0.39), 24.1°(0.37), 26.4°(1.0), 33.0°(0.08), 36.2°(0.29), 38.7°(0.57), 41.9°(0.19), 42.3°(0.19), 46.0°(0.18), 48.3°(0.24), 48.8°(0.17), 55.1°(0.06), 56.6°(0.16), 64.0°(0.11), 66.2°(0.1), 66.9°(0.09), 67.4°(0.06), 74.5°(0.07), 77.7°(0.06).
Genera... | JVASP-123725 | 4.67 4.31 5.60
90 113 117
Yb -0.000 0.333 0.167
Se 0.793 0.730 0.429
Se 0.207 -0.063 0.905 |
Below is a description of a material. | The chemical formula is: Tb3Yb.
The XRD pattern shows main peaks at: 30.9°(1.0), 35.9°(0.46), 51.6°(0.37), 61.4°(0.43), 64.4°(0.12), 76.0°(0.06), 84.3°(0.17), 87.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79001 | 6.14 6.14 6.14
131 131 70
Tb 0.750 0.250 0.500
Tb 0.250 0.750 0.500
Tb 0.500 0.500 0.000
Yb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2SbPt.
The XRD pattern shows main peaks at: 21.4°(1.0), 24.7°(0.14), 31.7°(0.76), 38.6°(0.94), 43.6°(0.17), 45.4°(0.3), 50.7°(0.37), 54.9°(0.31), 64.8°(0.21), 66.2°(0.1), 70.5°(0.14), 75.3°(0.13), 76.6°(0.13), 79.3°(0.25), 82.7°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-189716 | 5.02 5.02 5.02
133 133 68
Sb 0.750 0.250 0.500
Pt 0.250 0.750 0.500
Li 1.000 1.000 0.000
Li 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: BaHfO.
The XRD pattern shows main peaks at: 13.2°(0.06), 26.5°(1.0), 27.7°(0.51), 27.9°(0.48), 37.8°(0.37), 38.7°(0.49), 47.4°(0.09), 47.9°(0.09), 50.0°(0.11), 54.5°(0.12), 55.0°(0.12), 55.5°(0.13), 57.4°(0.14), 61.6°(0.16), 62.2°(0.16), 64.0°(0.08), 64.6°(0.08), 75.0°(0.05), 77.0°(0.06), 82.8°... | JVASP-133911 | 7.62 3.65 3.37
90 90 62
Ba -0.134 0.022 0.000
Hf 0.404 -0.012 0.000
O 0.128 0.263 0.000 |
Below is a description of a material. | The chemical formula is: RbTl3.
The XRD pattern shows main peaks at: 18.9°(0.06), 31.2°(1.0), 44.6°(0.19), 55.4°(0.4), 65.0°(0.13), 73.8°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38287 | 5.74 5.74 5.74
60 60 60
Rb 0.750 0.750 0.750
Tl 0.000 0.000 0.000
Tl 0.500 0.500 0.500
Tl 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TaCu3.
The XRD pattern shows main peaks at: 23.4°(0.26), 33.3°(0.22), 41.1°(1.0), 47.8°(0.51), 53.8°(0.12), 59.5°(0.09), 69.9°(0.31), 74.8°(0.06), 84.4°(0.36), 89.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127022 | 3.81 3.81 3.81
90 90 90
Ta 0.000 0.000 0.000
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZnNiSb.
The XRD pattern shows main peaks at: 25.9°(0.26), 30.0°(0.31), 42.9°(1.0), 53.2°(0.09), 62.3°(0.15), 78.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16636 | 4.22 4.22 4.22
60 60 60
Zn 0.250 0.250 0.250
Ni 0.000 0.000 0.000
Sb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Th3Br.
The XRD pattern shows main peaks at: 20.0°(0.11), 31.2°(1.0), 35.7°(0.18), 36.3°(0.37), 51.9°(0.27), 52.3°(0.13), 61.4°(0.16), 62.1°(0.31), 65.0°(0.13), 84.8°(0.14), 85.5°(0.07), 87.0°(0.07), 88.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-37389 | 6.12 6.12 6.12
132 132 69
Th 0.750 0.250 0.500
Th 0.250 0.750 0.500
Th 0.500 0.500 0.000
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrCu2Te3.
The XRD pattern shows main peaks at: 14.0°(0.18), 25.1°(0.14), 25.5°(0.43), 26.4°(0.67), 27.5°(0.51), 28.2°(0.23), 29.2°(1.0), 33.8°(0.35), 37.9°(0.25), 38.7°(0.34), 40.4°(0.16), 41.6°(0.3), 43.2°(0.77), 44.4°(0.48), 46.2°(0.36), 46.6°(0.19), 48.3°(0.14), 49.4°(0.18), 50.8°(0.16), 52.... | JVASP-152483 | 10.43 10.43 7.33
82 82 22
Zr 0.646 0.646 0.946
Zr 0.354 0.354 0.054
Cu 0.713 0.713 0.573
Cu 0.287 0.287 0.427
Cu 0.048 0.048 0.851
Cu 0.952 0.952 0.149
Te 0.751 0.751 0.216
Te 0.249 0.249 0.784
Te 0.583 0.583 0.633
Te 0.417 0.417 0.367
Te 0.081 0.081 0.183
Te 0.919 0.919 0.817 |
Below is a description of a material. | The chemical formula is: YbSe.
The XRD pattern shows main peaks at: 26.3°(0.24), 30.5°(1.0), 43.7°(0.72), 54.2°(0.26), 63.5°(0.12), 72.0°(0.31), 80.2°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1251 | 4.15 4.15 4.15
60 60 60
Yb 0.500 0.500 0.500
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgTiO2.
The XRD pattern shows main peaks at: 13.6°(1.0), 16.8°(0.07), 21.6°(0.12), 22.1°(0.43), 27.4°(0.24), 32.8°(0.63), 35.4°(0.57), 36.6°(0.25), 40.7°(0.19), 41.6°(0.56), 43.2°(0.31), 49.7°(0.2), 50.5°(0.09), 54.0°(0.27), 56.0°(0.09), 59.4°(0.26), 61.9°(0.06), 65.5°(0.16), 75.2°(0.09).
Gener... | JVASP-9529 | 2.85 8.52 8.50
76 80 80
Mg 0.615 0.967 0.804
Mg 0.389 0.053 0.168
Mg 0.933 0.260 0.874
Mg 0.071 0.760 0.098
Ti 0.340 0.846 0.475
Ti 0.787 0.616 0.809
Ti 0.217 0.404 0.163
Ti 0.665 0.174 0.497
O 0.141 0.333 0.385
O 0.653 0.588 0.106
O 0.351 0.432 0.865
O 0.863 0.687 0.587
O 0.917 0.880 0.286
O 0.184 0.787 0.845
O 0.087 ... |
Below is a description of a material. | The chemical formula is: BaMoPt2.
The XRD pattern shows main peaks at: 11.5°(0.24), 26.7°(0.1), 29.2°(0.29), 34.8°(0.19), 35.6°(1.0), 38.2°(0.7), 40.0°(0.06), 44.5°(0.25), 52.6°(0.23), 55.1°(0.27), 63.6°(0.07), 66.8°(0.16), 67.3°(0.3), 73.4°(0.14), 81.7°(0.11).
Generate atomic structure description with lattice lengths... | JVASP-65437 | 3.33 3.33 7.73
90 90 90
Ba 0.500 0.500 0.000
Mo 0.500 0.500 0.500
Pt 0.000 0.000 0.680
Pt 0.000 0.000 0.320 |
Below is a description of a material. | The chemical formula is: CeP2.
The XRD pattern shows main peaks at: 16.6°(0.11), 23.1°(1.0), 25.1°(0.29), 27.8°(0.31), 28.7°(0.56), 29.3°(0.18), 31.2°(0.27), 35.8°(0.63), 36.6°(0.72), 37.4°(0.24), 38.0°(0.19), 39.7°(0.14), 40.6°(0.28), 45.3°(0.2), 49.3°(0.14), 51.3°(0.25), 53.0°(0.11), 54.8°(0.13), 62.3°(0.14), 68.1°(0... | JVASP-86082 | 4.03 6.42 9.68
90 96 90
Ce 0.216 0.315 0.138
Ce 0.784 0.685 0.862
Ce 0.284 0.815 0.362
Ce 0.716 0.185 0.638
P 0.209 0.855 0.672
P 0.791 0.145 0.328
P 0.149 0.369 0.449
P 0.351 0.869 0.051
P 0.709 0.645 0.172
P 0.649 0.131 0.949
P 0.851 0.631 0.551
P 0.291 0.355 0.828 |
Below is a description of a material. | The chemical formula is: InBrO.
The XRD pattern shows main peaks at: 10.2°(0.58), 24.0°(1.0), 31.9°(0.9), 34.4°(0.51), 38.0°(0.14), 39.6°(0.11), 41.5°(0.15), 44.3°(0.21), 45.6°(0.44), 49.6°(0.16), 55.6°(0.37), 57.5°(0.1), 62.3°(0.09), 64.1°(0.06), 66.6°(0.07), 68.6°(0.11), 79.3°(0.07), 81.6°(0.06), 82.4°(0.08), 83.5°(0... | JVASP-3840 | 3.68 4.09 8.71
90 90 90
In 0.500 0.500 0.884
In 0.000 0.000 0.116
Br 0.000 0.500 0.658
Br 0.500 0.000 0.342
O 0.000 0.500 0.038
O 0.500 0.000 0.962 |
Below is a description of a material. | The chemical formula is: Zr5AgPb3.
The XRD pattern shows main peaks at: 25.0°(0.35), 29.9°(0.18), 34.4°(0.52), 35.1°(1.0), 36.2°(0.92), 43.6°(0.08), 45.2°(0.26), 46.7°(0.13), 51.3°(0.24), 62.0°(0.09), 63.7°(0.2), 66.3°(0.06), 73.3°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-142958 | 8.86 8.86 5.98
90 90 120
Zr 0.667 0.333 0.000
Zr -0.000 0.720 0.250
Zr 0.280 0.280 0.250
Zr 0.000 0.280 0.750
Zr 0.280 0.000 0.750
Zr 0.720 -0.000 0.250
Zr 0.667 0.333 0.500
Zr 0.333 0.667 0.500
Zr 0.333 0.667 0.000
Zr 0.720 0.720 0.750
Ag 0.000 0.000 0.000
Ag 0.000 0.000 0.500
Pb 0.377 0.000 0.250
Pb 0.377 0.377 0.750... |
Below is a description of a material. | The chemical formula is: TiCr2.
The XRD pattern shows main peaks at: 22.5°(0.12), 37.2°(0.26), 43.9°(1.0), 46.0°(0.46), 53.6°(0.06), 71.8°(0.25), 79.3°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19708 | 4.83 4.83 4.83
60 60 59
Ti 0.125 0.125 0.125
Ti 0.875 0.875 0.875
Cr 0.000 0.500 0.500
Cr 0.500 0.000 0.500
Cr 0.500 0.500 -0.000
Cr 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TiNbAlC.
The XRD pattern shows main peaks at: 6.4°(0.66), 12.8°(0.3), 25.8°(0.05), 33.4°(0.17), 34.0°(0.14), 35.9°(0.1), 38.8°(1.0), 42.6°(0.07), 59.6°(0.2), 73.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101090 | 3.10 3.10 13.83
90 90 120
Ti 0.667 0.333 0.917
Ti 0.333 0.667 0.083
Nb 0.333 0.667 0.409
Nb 0.667 0.333 0.591
Al 0.333 0.667 0.755
Al 0.667 0.333 0.245
C 0.000 0.000 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CeMg.
The XRD pattern shows main peaks at: 7.6°(1.0), 23.0°(0.17), 30.8°(0.21), 32.9°(0.14), 33.8°(0.25), 36.5°(0.63), 40.5°(0.11), 45.7°(0.11), 51.8°(0.11), 58.8°(0.11), 64.0°(0.06), 67.9°(0.12), 71.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-78804 | 3.14 3.14 11.60
90 90 120
Ce 0.333 0.667 0.134
Ce 0.667 0.333 0.866
Mg 0.667 0.333 0.386
Mg 0.333 0.667 0.614 |
Below is a description of a material. | The chemical formula is: CaSiCu.
The XRD pattern shows main peaks at: 20.9°(0.21), 27.5°(0.24), 33.2°(1.0), 41.0°(0.09), 42.6°(0.21), 44.8°(0.54), 49.9°(0.12), 56.8°(0.19), 63.5°(0.33), 75.1°(0.16), 82.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193356 | 4.05 4.05 8.49
90 90 120
Ca 0.000 0.000 0.500
Ca 0.000 0.000 0.000
Si 0.333 0.667 0.750
Si 0.667 0.333 0.250
Cu 0.667 0.333 0.750
Cu 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Rb2MgF4.
The XRD pattern shows main peaks at: 22.8°(0.21), 25.8°(0.18), 29.3°(1.0), 31.1°(0.71), 33.8°(0.18), 39.2°(0.24), 40.9°(0.59), 44.6°(0.51), 50.8°(0.2), 54.3°(0.37), 60.8°(0.25), 64.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22366 | 4.06 4.06 7.48
105 105 89
Rb 0.650 0.650 0.300
Rb 0.350 0.350 0.700
Mg 0.000 0.000 0.000
F 0.500 0.000 0.000
F 0.000 0.500 0.000
F 0.854 0.854 0.708
F 0.146 0.146 0.292 |
Below is a description of a material. | The chemical formula is: TiAlO4.
The XRD pattern shows main peaks at: 19.6°(0.14), 27.9°(1.0), 36.6°(0.45), 41.8°(0.39), 44.8°(0.14), 55.2°(0.63), 57.5°(0.17), 63.7°(0.11), 65.1°(0.08), 70.2°(0.26), 70.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139476 | 4.53 4.53 2.92
90 90 89
Ti 0.500 0.500 0.500
Al 0.000 0.000 0.000
O 0.297 0.297 0.000
O 0.194 0.806 0.500
O 0.806 0.194 0.500
O 0.703 0.703 0.000 |
Below is a description of a material. | The chemical formula is: Ga.
The XRD pattern shows main peaks at: 33.9°(0.47), 34.3°(1.0), 43.3°(0.54), 44.8°(0.21), 46.8°(0.27), 53.5°(0.13), 54.3°(0.17), 64.9°(0.14), 66.9°(0.07), 72.3°(0.1), 73.0°(0.15), 73.8°(0.13), 75.9°(0.09), 77.4°(0.17), 84.2°(0.07), 89.2°(0.06).
Generate atomic structure description with latti... | JVASP-15845 | 2.80 3.42 4.28
90 109 90
Ga 0.867 0.250 0.734
Ga 0.133 0.750 0.266 |
Below is a description of a material. | The chemical formula is: LiFeO3.
The XRD pattern shows main peaks at: 13.8°(0.06), 18.1°(1.0), 18.5°(0.42), 27.7°(0.11), 33.6°(0.05), 35.0°(0.18), 39.6°(0.18), 41.5°(0.17), 45.0°(0.3), 45.5°(0.13), 52.3°(0.09), 58.6°(0.09), 60.2°(0.06), 64.2°(0.05), 67.5°(0.06), 71.9°(0.06), 73.1°(0.07).
Generate atomic structure descr... | JVASP-48661 | 2.77 5.41 7.04
112 90 104
Li 0.624 0.748 0.364
Li 0.376 0.252 0.636
Fe 0.812 0.124 0.192
Fe 0.188 0.876 0.808
O 0.996 0.491 0.395
O 0.004 0.509 0.605
O 0.360 0.221 0.049
O 0.255 0.011 0.320
O 0.640 0.779 -0.049
O 0.745 0.989 0.680 |
Below is a description of a material. | The chemical formula is: CrFe3.
The XRD pattern shows main peaks at: 44.6°(1.0), 52.0°(0.48), 76.6°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35731 | 3.52 3.52 3.52
90 90 90
Cr 0.000 0.000 0.000
Fe 0.000 0.500 0.500
Fe 0.500 0.500 0.000
Fe 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: SbCl2.
The XRD pattern shows main peaks at: 12.5°(1.0), 22.4°(0.1), 25.7°(0.43), 28.7°(0.49), 31.4°(0.44), 33.9°(0.44), 38.1°(0.08), 38.5°(0.26), 44.6°(0.08), 45.4°(0.17), 47.5°(0.07), 48.4°(0.15), 50.8°(0.26), 51.5°(0.06), 59.1°(0.07), 60.1°(0.12), 61.1°(0.08), 64.8°(0.07), 65.6°(0.12), 87.3°(... | JVASP-185137 | 3.37 4.32 7.09
90 90 112
Sb 0.246 0.492 0.500
Cl 0.044 0.087 0.758
Cl 0.044 0.087 0.242 |
Below is a description of a material. | The chemical formula is: K2RbCO3F.
The XRD pattern shows main peaks at: 14.4°(0.26), 16.3°(0.21), 17.7°(0.23), 28.3°(0.38), 28.7°(0.48), 29.1°(0.49), 29.5°(0.84), 33.0°(1.0), 34.8°(0.95), 35.9°(0.48), 36.6°(0.72), 37.7°(0.19), 40.9°(0.22), 45.4°(0.17), 47.0°(0.18), 50.3°(0.15), 50.9°(0.16), 51.5°(0.15), 53.1°(0.16), 53... | JVASP-176501 | 6.91 6.91 7.09
65 65 66
K 0.823 0.677 0.250
K 0.749 0.174 0.324
K 0.179 0.321 0.750
K 0.326 0.751 0.176
Rb 0.686 0.258 0.814
Rb 0.242 0.814 0.686
C 0.248 0.252 0.250
C 0.750 0.750 0.750
O 0.075 0.253 0.424
O 0.247 0.425 0.076
O 0.421 0.079 0.250
O 0.761 0.589 0.931
O 0.577 0.923 0.750
O 0.911 0.739 0.569
F 0.498 0.495 ... |
Below is a description of a material. | The chemical formula is: ErTaOs2.
The XRD pattern shows main peaks at: 39.0°(1.0), 56.3°(0.18), 70.6°(0.37), 83.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40123 | 4.62 4.62 4.62
59 59 59
Er 0.250 0.250 0.250
Ta 0.750 0.750 0.750
Os 1.000 1.000 0.000
Os 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MnAs.
The XRD pattern shows main peaks at: 32.6°(1.0), 43.5°(0.88), 49.9°(0.57), 58.0°(0.17), 60.9°(0.16), 68.3°(0.21), 79.9°(0.07), 82.5°(0.14), 88.8°(0.2), 89.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79503 | 3.65 3.65 5.52
90 90 120
Mn 0.000 0.000 0.500
Mn 0.000 0.000 0.000
As 0.667 0.333 0.750
As 0.333 0.667 0.250 |
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