instruction stringclasses 1
value | input stringlengths 172 435 | id stringlengths 7 12 | output stringlengths 43 2.84k |
|---|---|---|---|
Below is a description of a material. | The chemical formula is: KBa4Os.
The XRD pattern shows main peaks at: 15.4°(0.18), 17.8°(0.06), 25.3°(0.19), 29.8°(1.0), 31.2°(0.44), 36.1°(0.06), 40.6°(0.06), 44.7°(0.08), 47.5°(0.35), 52.0°(0.29), 61.1°(0.12), 61.9°(0.19), 73.1°(0.23), 84.4°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-64769 | 7.03 7.03 7.03
60 60 60
K 0.250 0.250 0.250
Ba 0.118 0.627 0.627
Ba 0.627 0.627 0.627
Ba 0.627 0.118 0.627
Ba 0.627 0.627 0.118
Os 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4CoHg.
The XRD pattern shows main peaks at: 15.7°(0.11), 18.1°(0.07), 25.8°(0.23), 30.3°(1.0), 31.7°(0.42), 45.4°(0.1), 48.4°(0.33), 53.0°(0.28), 62.2°(0.12), 63.0°(0.16), 72.3°(0.05), 74.5°(0.23), 86.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-63951 | 6.92 6.92 6.92
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
Co 0.250 0.250 0.250
Hg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiBeFe4.
The XRD pattern shows main peaks at: 23.5°(1.0), 45.9°(0.56), 48.1°(0.62), 56.2°(0.24), 61.7°(0.18), 75.4°(0.17), 83.5°(0.18), 88.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64966 | 4.63 4.63 4.63
60 60 60
Li 0.250 0.250 0.250
Be 0.000 0.000 0.000
Fe 0.125 0.625 0.625
Fe 0.625 0.625 0.625
Fe 0.625 0.125 0.625
Fe 0.625 0.625 0.125 |
Below is a description of a material. | The chemical formula is: Ba4ScHg.
The XRD pattern shows main peaks at: 15.0°(0.15), 17.4°(0.09), 24.7°(0.21), 29.0°(1.0), 30.3°(0.43), 35.2°(0.05), 39.5°(0.05), 43.4°(0.1), 46.2°(0.37), 50.6°(0.3), 59.4°(0.12), 60.1°(0.19), 70.9°(0.24), 81.7°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-64219 | 7.22 7.22 7.22
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
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li3In2P3O12.
The XRD pattern shows main peaks at: 14.4°(0.07), 16.0°(0.13), 19.8°(0.31), 20.4°(1.0), 23.0°(0.12), 24.1°(0.14), 26.1°(0.06), 26.7°(0.08), 28.8°(0.39), 32.6°(0.42), 35.0°(0.2), 35.5°(0.12), 36.0°(0.43), 41.4°(0.12), 45.7°(0.08), 46.3°(0.13), 46.9°(0.07), 51.1°(0.07), 56.6°(0.1).
G... | JVASP-98195 | 8.59 8.95 12.28
90 89 90
Li 0.825 0.214 0.179
Li 0.416 0.583 0.183
Li 0.084 0.083 0.317
Li 0.916 0.917 0.683
Li 0.066 0.509 0.652
Li 0.434 0.009 0.848
Li 0.584 0.417 0.817
Li 0.566 0.991 0.152
Li 0.325 0.286 0.679
Li 0.175 0.786 0.821
Li 0.675 0.714 0.321
Li 0.934 0.491 0.348
In 0.741 0.035 0.398
In 0.736 0.470 0.602
I... |
Below is a description of a material. | The chemical formula is: K2TcI6.
The XRD pattern shows main peaks at: 13.6°(0.34), 15.9°(0.62), 25.1°(0.25), 25.6°(0.25), 26.4°(0.39), 26.7°(0.55), 27.5°(1.0), 27.9°(0.36), 28.2°(0.42), 29.9°(0.25), 32.0°(0.6), 32.3°(0.85), 35.7°(0.37), 42.1°(0.19), 45.9°(0.19), 46.2°(0.21), 47.1°(0.14), 48.0°(0.25), 48.6°(0.25), 50.0°... | JVASP-85286 | 7.72 7.98 11.20
90 90 90
K 0.027 0.430 0.749
K 0.473 0.930 0.751
K 0.527 0.070 0.249
K 0.973 0.570 0.251
Tc 0.000 0.000 0.000
Tc 0.500 0.500 0.500
I 0.927 -0.001 0.759
I 0.193 0.712 0.971
I 0.693 0.788 0.471
I 0.291 0.194 0.963
I 0.307 0.212 0.529
I 0.427 0.501 0.259
I 0.807 0.288 0.029
I 0.073 0.001 0.241
I 0.573 0.49... |
Below is a description of a material. | The chemical formula is: LuRu2.
The XRD pattern shows main peaks at: 34.4°(0.44), 36.6°(1.0), 40.3°(0.95), 41.3°(0.7), 46.0°(0.09), 56.2°(0.05), 61.7°(0.09), 63.1°(0.37), 65.7°(0.21), 67.6°(0.31), 72.6°(0.25), 84.2°(0.18), 87.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-86738 | 5.21 5.21 8.79
90 90 120
Lu 0.333 0.667 0.433
Lu 0.667 0.333 0.567
Lu 0.667 0.333 0.933
Lu 0.333 0.667 0.067
Ru 0.172 0.343 0.750
Ru 0.172 0.828 0.750
Ru 0.343 0.172 0.250
Ru 0.828 0.657 0.250
Ru 0.657 0.828 0.750
Ru 0.000 0.000 0.000
Ru 0.828 0.172 0.250
Ru 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ce2Fe12P7.
The XRD pattern shows main peaks at: 26.9°(0.1), 30.4°(0.09), 33.6°(0.06), 34.6°(0.09), 39.3°(1.0), 40.1°(0.07), 41.8°(0.09), 42.7°(0.07), 46.7°(0.09), 49.0°(0.09), 49.8°(0.19), 54.0°(0.15), 57.4°(0.12), 70.6°(0.05), 76.5°(0.11), 86.3°(0.1).
Generate atomic structure description with... | JVASP-89294 | 8.99 8.99 3.66
90 90 120
Ce 0.667 0.333 0.500
Ce 0.333 0.667 0.000
Fe 0.429 0.062 0.000
Fe 0.901 0.117 0.500
Fe 0.216 0.099 0.500
Fe 0.565 0.946 0.500
Fe 0.054 0.619 0.500
Fe 0.883 0.784 0.500
Fe 0.728 0.878 0.000
Fe 0.122 0.850 0.000
Fe 0.150 0.272 0.000
Fe 0.938 0.367 0.000
Fe 0.633 0.571 0.000
Fe 0.381 0.435 0.500
P... |
Below is a description of a material. | The chemical formula is: Ba2VSi2O8.
The XRD pattern shows main peaks at: 16.9°(0.1), 22.4°(0.11), 23.3°(0.15), 26.9°(0.4), 28.9°(1.0), 29.6°(0.07), 33.1°(0.23), 34.1°(0.14), 37.4°(0.07), 40.3°(0.05), 41.7°(0.22), 43.7°(0.16), 45.0°(0.09), 45.8°(0.06), 47.1°(0.17), 48.3°(0.24), 56.5°(0.1), 57.9°(0.14), 61.0°(0.09), 70.4... | JVASP-97596 | 5.26 8.55 8.55
90 90 90
Ba 0.999 0.329 0.829
Ba 0.999 0.829 0.671
Ba 0.999 0.671 0.171
Ba 0.999 0.171 0.329
V 0.537 0.000 0.000
V 0.537 0.500 0.500
Si 0.520 0.130 0.630
Si 0.520 0.370 0.130
Si 0.520 0.630 0.870
Si 0.520 0.870 0.370
O 0.214 0.872 0.372
O 0.214 0.628 0.872
O 0.214 0.372 0.128
O 0.222 0.500 0.500
O 0.634 ... |
Below is a description of a material. | The chemical formula is: Ba4HfSc.
The XRD pattern shows main peaks at: 15.4°(0.19), 17.8°(0.08), 25.3°(0.22), 29.7°(1.0), 31.1°(0.52), 36.1°(0.08), 39.4°(0.05), 44.6°(0.09), 47.4°(0.39), 51.9°(0.34), 61.0°(0.14), 61.8°(0.21), 72.9°(0.23), 76.5°(0.06), 84.2°(0.07).
Generate atomic structure description with lattice leng... | JVASP-63993 | 7.04 7.04 7.04
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
Hf 0.250 0.250 0.250
Sc 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4BeBi.
The XRD pattern shows main peaks at: 15.3°(0.27), 17.7°(0.16), 25.2°(0.16), 29.6°(1.0), 30.9°(0.46), 35.9°(0.07), 39.2°(0.07), 40.3°(0.1), 44.3°(0.08), 47.2°(0.35), 51.6°(0.27), 54.2°(0.07), 60.7°(0.12), 61.4°(0.2), 72.5°(0.24), 83.6°(0.07).
Generate atomic structure description with l... | JVASP-64162 | 7.08 7.08 7.08
60 60 60
Ba 0.122 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.122 0.626
Ba 0.626 0.626 0.122
Be 0.250 0.250 0.250
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4MgSb.
The XRD pattern shows main peaks at: 15.1°(0.34), 24.8°(0.11), 29.2°(1.0), 30.5°(0.58), 35.4°(0.15), 38.7°(0.09), 43.7°(0.05), 46.5°(0.35), 50.9°(0.32), 53.4°(0.07), 59.8°(0.13), 60.6°(0.23), 71.4°(0.21), 74.9°(0.05), 82.3°(0.07), 83.0°(0.05).
Generate atomic structure description with... | JVASP-64494 | 7.17 7.17 7.17
60 60 60
Ba 0.120 0.627 0.627
Ba 0.627 0.627 0.627
Ba 0.627 0.120 0.627
Ba 0.627 0.627 0.120
Mg 0.250 0.250 0.250
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K2PdSe10.
The XRD pattern shows main peaks at: 16.4°(1.0), 18.2°(0.14), 28.9°(0.63), 31.1°(0.23), 32.1°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-98376 | 12.35 12.86 12.86
76 61 61
K 0.981 0.056 0.229
K 0.519 0.771 0.944
K 0.038 0.944 0.729
K 0.733 0.729 0.556
K 0.211 0.556 0.771
K 0.462 0.271 0.056
K 0.767 0.444 0.271
K 0.289 0.229 0.444
Pd 0.125 0.250 0.250
Pd 0.625 0.250 0.250
Pd 0.375 0.750 0.750
Pd 0.875 0.750 0.750
Se 0.375 0.588 0.899
Se 0.812 0.030 0.542
Se 0.96... |
Below is a description of a material. | The chemical formula is: Ba4MgFe.
The XRD pattern shows main peaks at: 15.3°(0.6), 29.6°(1.0), 30.9°(0.71), 35.9°(0.27), 39.2°(0.18), 47.2°(0.35), 51.6°(0.32), 54.2°(0.15), 60.7°(0.12), 61.4°(0.31), 64.5°(0.07), 66.7°(0.08), 72.5°(0.21), 76.1°(0.05), 83.7°(0.06), 84.3°(0.06).
Generate atomic structure description with ... | JVASP-64080 | 7.08 7.08 7.08
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
Mg 0.000 0.000 0.000
Fe 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TmNiGe2.
The XRD pattern shows main peaks at: 23.7°(0.07), 31.4°(0.16), 34.9°(1.0), 38.7°(0.19), 41.2°(0.05), 43.2°(0.2), 45.4°(0.17), 48.5°(0.12), 54.2°(0.09), 56.7°(0.15), 61.1°(0.1), 64.5°(0.11), 68.6°(0.08), 71.7°(0.08), 73.9°(0.08), 77.0°(0.07).
Generate atomic structure description with l... | JVASP-90818 | 4.19 4.00 8.64
103 90 90
Tm 0.750 0.108 0.216
Tm 0.250 0.892 0.784
Ni 0.750 0.324 0.649
Ni 0.250 0.676 0.351
Ge 0.750 0.460 0.920
Ge 0.250 0.540 0.080
Ge 0.750 0.747 0.494
Ge 0.250 0.253 0.506 |
Below is a description of a material. | The chemical formula is: BeFeBr4.
The XRD pattern shows main peaks at: 17.4°(0.58), 28.6°(0.07), 33.7°(1.0), 35.2°(0.66), 40.9°(0.22), 44.8°(0.14), 54.0°(0.33), 59.2°(0.28), 62.3°(0.1), 69.9°(0.11), 70.9°(0.24), 77.2°(0.06), 84.3°(0.2), 88.7°(0.05).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-65088 | 6.24 6.24 6.24
60 60 60
Be 0.000 0.000 0.000
Fe 0.250 0.250 0.250
Br 0.127 0.624 0.624
Br 0.624 0.624 0.624
Br 0.624 0.127 0.624
Br 0.624 0.624 0.127 |
Below is a description of a material. | The chemical formula is: BeIrBr4.
The XRD pattern shows main peaks at: 18.0°(0.26), 20.8°(0.25), 29.5°(0.26), 34.8°(1.0), 36.4°(0.38), 46.3°(0.06), 47.5°(0.13), 52.4°(0.11), 55.8°(0.32), 61.3°(0.25), 64.4°(0.06), 65.5°(0.06), 72.4°(0.11), 73.4°(0.15), 84.8°(0.06), 87.6°(0.23).
Generate atomic structure description with... | JVASP-64999 | 6.05 6.05 6.05
60 60 60
Be 0.000 0.000 0.000
Ir 0.250 0.250 0.250
Br 0.624 0.128 0.624
Br 0.128 0.624 0.624
Br 0.624 0.624 0.624
Br 0.624 0.624 0.128 |
Below is a description of a material. | The chemical formula is: Ba2YGa.
The XRD pattern shows main peaks at: 21.2°(0.07), 30.2°(1.0), 43.2°(0.19), 53.6°(0.4), 62.7°(0.13), 71.1°(0.16), 87.0°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64704 | 5.93 5.93 5.93
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Y 0.500 0.500 0.500
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgBe2Se.
The XRD pattern shows main peaks at: 17.7°(0.42), 25.4°(1.0), 31.2°(0.47), 35.9°(0.22), 36.3°(0.72), 40.7°(0.19), 44.5°(0.78), 51.9°(0.29), 52.3°(0.24), 55.6°(0.08), 59.0°(0.21), 62.1°(0.13), 65.0°(0.16), 67.7°(0.06), 71.0°(0.37), 77.1°(0.07), 81.7°(0.08), 87.3°(0.1), 88.3°(0.11).
Gene... | JVASP-65041 | 3.50 3.50 5.01
90 90 90
Mg 0.500 0.500 0.000
Be 0.000 0.000 0.773
Be 0.000 0.000 0.227
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4CuP.
The XRD pattern shows main peaks at: 15.8°(0.55), 25.9°(0.06), 30.5°(1.0), 31.9°(0.74), 37.0°(0.24), 40.5°(0.16), 48.7°(0.36), 53.4°(0.34), 56.0°(0.12), 62.7°(0.12), 63.5°(0.29), 66.7°(0.06), 69.1°(0.06), 75.1°(0.21), 78.8°(0.05), 86.8°(0.06), 87.6°(0.06).
Generate atomic structure desc... | JVASP-64039 | 6.87 6.87 6.87
60 60 60
Ba 0.122 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.122 0.626
Ba 0.626 0.626 0.122
Cu 0.250 0.250 0.250
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4YSn.
The XRD pattern shows main peaks at: 15.1°(0.12), 24.7°(0.18), 29.1°(1.0), 30.4°(0.46), 35.3°(0.08), 43.6°(0.08), 46.4°(0.34), 50.8°(0.3), 59.6°(0.13), 60.3°(0.19), 71.2°(0.22), 74.6°(0.05), 82.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-64406 | 7.20 7.20 7.20
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Y 0.000 0.000 0.000
Sn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BaY6Si3B6O24F2.
The XRD pattern shows main peaks at: 18.9°(0.26), 25.5°(0.35), 27.0°(0.1), 31.9°(1.0), 33.6°(0.06), 38.3°(0.07), 38.9°(0.12), 40.0°(0.06), 43.6°(0.1), 46.6°(0.26), 49.2°(0.11), 51.3°(0.05), 53.2°(0.15), 55.2°(0.05), 55.8°(0.06), 64.0°(0.06), 65.3°(0.09).
Generate atomic structur... | JVASP-98057 | 10.68 10.68 4.70
90 90 120
Ba 0.000 0.000 0.015
Y 0.570 0.785 0.953
Y 0.215 0.785 0.953
Y 0.215 0.430 0.953
Y 0.784 0.216 -0.000
Y 0.784 0.568 -0.000
Y 0.432 0.216 -0.000
Si 0.493 0.507 0.403
Si 0.015 0.507 0.403
Si 0.493 0.985 0.403
B 1.000 0.750 0.482
B 0.250 0.000 0.482
B 0.750 0.000 0.482
B 1.000 0.250 0.482
B 0.75... |
Below is a description of a material. | The chemical formula is: TmCu3Te3.
The XRD pattern shows main peaks at: 13.6°(0.22), 14.6°(0.17), 17.4°(0.12), 22.3°(0.12), 23.9°(0.12), 24.5°(0.71), 25.8°(0.15), 27.2°(0.77), 27.7°(0.11), 28.4°(0.29), 34.2°(0.26), 35.1°(0.63), 35.5°(0.62), 37.9°(0.19), 41.5°(1.0), 43.6°(0.23), 46.4°(0.65), 49.9°(0.15), 71.4°(0.23), 73... | JVASP-97515 | 6.91 7.59 12.79
90 90 90
Tm 0.243 0.750 0.162
Tm 0.743 0.250 0.338
Tm 0.743 0.250 0.662
Tm 0.243 0.750 0.838
Cu 0.622 0.619 0.675
Cu 0.864 0.881 0.675
Cu 0.122 0.381 0.175
Cu 0.864 0.881 0.325
Cu 0.622 0.619 0.325
Cu 0.364 0.119 0.825
Cu 0.869 0.876 0.000
Cu 0.118 0.376 0.500
Cu 0.122 0.381 0.825
Cu 0.618 0.624 0.000
C... |
Below is a description of a material. | The chemical formula is: Be2BiIr.
The XRD pattern shows main peaks at: 25.4°(1.0), 39.6°(0.67), 40.8°(0.29), 44.9°(0.12), 46.7°(0.22), 53.9°(0.26), 62.3°(0.09), 63.7°(0.16), 66.8°(0.16), 68.1°(0.07), 74.0°(0.05), 79.3°(0.1), 81.3°(0.08), 81.8°(0.19), 85.4°(0.09).
Generate atomic structure description with lattice lengt... | JVASP-64888 | 4.88 4.88 4.88
133 133 68
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Bi 0.500 0.500 0.000
Ir 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: CeB3O6.
The XRD pattern shows main peaks at: 14.3°(0.72), 19.4°(0.78), 22.3°(0.55), 25.7°(0.93), 28.5°(0.8), 28.9°(0.33), 30.4°(1.0), 31.0°(0.44), 32.0°(0.63), 32.8°(0.67), 33.6°(0.7), 40.3°(0.45), 42.6°(0.47), 44.1°(0.42), 44.8°(0.36), 45.3°(0.46), 46.0°(0.48), 47.5°(0.3), 50.2°(0.26), 59.8°(0... | JVASP-97871 | 4.25 7.27 11.76
90 90 91
Ce 0.783 0.616 0.878
Ce 0.217 0.884 0.378
Ce 0.217 0.384 0.122
Ce 0.783 0.116 0.622
B 0.326 0.787 0.667
B 0.313 0.423 0.621
B 0.808 0.625 0.594
B 0.674 0.213 0.333
B 0.192 0.875 0.094
B 0.687 0.577 0.379
B 0.687 0.077 0.121
B 0.326 0.287 0.833
B 0.674 0.713 0.167
B 0.313 0.923 0.879
B 0.808 0.1... |
Below is a description of a material. | The chemical formula is: LiVF4.
The XRD pattern shows main peaks at: 15.9°(0.38), 19.5°(0.82), 23.6°(0.72), 25.3°(0.54), 30.4°(0.42), 31.1°(0.36), 39.8°(0.62), 42.2°(1.0), 47.0°(0.13), 52.9°(0.19), 53.4°(0.15), 54.7°(0.38), 55.5°(0.33), 59.6°(0.09), 64.0°(0.34), 65.8°(0.09), 67.4°(0.12), 72.8°(0.14), 73.4°(0.08), 81.2°... | JVASP-43531 | 4.56 5.56 5.12
90 91 90
Li 0.500 0.366 0.750
Li 0.500 0.634 0.250
V 0.000 0.845 0.750
V 0.000 0.155 0.250
F 0.224 0.116 0.918
F 0.224 0.884 0.418
F 0.262 0.626 0.912
F 0.262 0.374 0.412
F 0.738 0.626 0.588
F 0.738 0.374 0.088
F 0.776 0.116 0.582
F 0.776 0.884 0.082 |
Below is a description of a material. | The chemical formula is: HfBe2Rh.
The XRD pattern shows main peaks at: 25.7°(1.0), 29.7°(0.06), 42.6°(0.83), 50.4°(0.48), 61.8°(0.14), 68.0°(0.2), 77.9°(0.3), 83.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64924 | 4.25 4.25 4.25
119 119 90
Hf 0.500 0.500 0.000
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Rh 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Li3Co2O2F3.
The XRD pattern shows main peaks at: 8.5°(1.0), 17.0°(0.07), 33.4°(0.16), 43.4°(0.21), 44.1°(0.25), 45.0°(0.07), 64.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107794 | 10.64 10.64 10.64
164 164 22
Li 0.596 0.596 0.000
Li 0.404 0.404 -0.000
Li 0.000 0.000 0.000
Co 0.205 0.205 -0.000
Co 0.795 0.795 0.000
O 0.695 0.695 0.000
O 0.305 0.305 -0.000
F 0.095 0.095 -0.000
F 0.905 0.905 0.000
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MnPO4.
The XRD pattern shows main peaks at: 20.7°(0.26), 21.4°(0.85), 24.9°(0.4), 25.4°(1.0), 34.5°(0.8), 34.9°(0.65), 36.7°(0.7), 37.8°(0.15), 39.5°(0.31), 46.3°(0.23), 51.0°(0.19), 52.1°(0.41), 56.3°(0.21), 57.9°(0.14), 59.2°(0.11), 60.9°(0.11), 64.5°(0.3), 65.2°(0.18), 66.4°(0.22), 69.1°(0.1... | JVASP-43763 | 4.76 6.54 8.56
90 90 90
Mn 0.500 0.000 0.500
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.500
Mn 0.000 0.500 0.000
P 0.537 0.250 0.179
P 0.963 0.250 0.679
P 0.037 0.750 0.321
P 0.463 0.750 0.821
O 0.770 0.750 0.874
O 0.429 0.750 0.636
O 0.730 0.750 0.374
O 0.071 0.750 0.136
O 0.314 0.554 0.876
O 0.186 0.554 0.376
O 0.814 0.44... |
Below is a description of a material. | The chemical formula is: Ba4TlP.
The XRD pattern shows main peaks at: 15.6°(0.2), 18.0°(0.13), 25.6°(0.22), 30.1°(1.0), 31.5°(0.5), 36.5°(0.06), 40.0°(0.06), 41.0°(0.06), 45.2°(0.09), 48.1°(0.38), 52.6°(0.29), 61.9°(0.13), 62.7°(0.19), 74.0°(0.23), 77.7°(0.05), 85.5°(0.08).
Generate atomic structure description with la... | JVASP-63952 | 6.95 6.95 6.95
60 60 60
Ba 0.129 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.129 0.624
Ba 0.624 0.624 0.129
Tl 0.000 0.000 0.000
P 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li3Fe3O4F4.
The XRD pattern shows main peaks at: 9.4°(0.56), 18.5°(0.15), 20.8°(1.0), 26.5°(0.1), 34.1°(0.38), 36.9°(0.14), 38.0°(0.41), 38.7°(0.06), 41.6°(0.28), 42.7°(0.18), 47.1°(0.07), 53.7°(0.4), 54.6°(0.15), 62.2°(0.16), 65.8°(0.1), 68.0°(0.1), 76.2°(0.06).
Generate atomic structure descr... | JVASP-42423 | 4.80 2.84 9.43
90 89 90
Li 0.019 0.000 0.141
Li 0.522 0.000 0.064
Li 0.061 0.500 0.526
Fe 0.507 0.000 0.641
Fe 0.490 0.500 0.370
Fe -0.004 0.500 0.840
O 0.784 0.000 0.779
O 0.686 0.500 0.538
O 0.271 0.500 0.705
O 0.289 0.000 0.451
F 0.778 0.500 0.030
F 0.729 0.000 0.280
F 0.212 0.000 0.946
F 0.282 0.500 0.189 |
Below is a description of a material. | The chemical formula is: SiAs.
The XRD pattern shows main peaks at: 25.6°(0.38), 27.1°(0.22), 28.0°(0.09), 28.8°(0.38), 29.5°(1.0), 30.3°(0.17), 32.5°(0.07), 33.9°(0.07), 34.6°(0.06), 38.2°(0.18), 42.8°(0.07), 45.1°(0.23), 47.1°(0.19), 47.6°(0.1), 48.3°(0.07), 48.9°(0.18), 51.0°(0.13), 54.1°(0.1), 56.0°(0.11), 57.8°(0.... | JVASP-4216 | 3.72 8.30 9.65
105 90 102
Si 0.131 0.262 0.416
Si 0.869 0.738 0.584
Si 0.238 0.476 0.292
Si 0.762 0.524 0.708
Si 0.567 0.133 0.089
Si 0.433 0.867 0.911
As 0.153 0.305 0.045
As 0.847 0.695 0.955
As 0.163 0.326 0.675
As 0.837 0.674 0.325
As 0.536 0.073 0.324
As 0.464 0.927 0.676 |
Below is a description of a material. | The chemical formula is: V.
The XRD pattern shows main peaks at: 42.8°(1.0), 62.1°(0.15), 78.4°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14837 | 2.59 2.59 2.59
109 109 109
V 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaCaCl.
The XRD pattern shows main peaks at: 18.7°(0.99), 21.6°(0.07), 30.7°(1.0), 36.2°(0.55), 44.0°(0.18), 48.2°(0.23), 54.7°(0.39), 58.3°(0.19), 64.0°(0.11), 67.4°(0.17), 72.7°(0.17), 75.9°(0.06), 84.0°(0.09), 89.1°(0.21).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-64354 | 5.82 5.82 5.82
60 60 60
Ba 0.750 0.750 0.750
Ca 0.000 0.000 0.000
Cl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NdAlPt.
The XRD pattern shows main peaks at: 26.0°(0.68), 27.3°(0.1), 32.7°(0.45), 33.9°(1.0), 36.5°(0.1), 39.3°(0.15), 39.8°(0.31), 40.2°(0.36), 41.8°(0.13), 44.3°(0.23), 47.5°(0.09), 48.4°(0.14), 53.5°(0.08), 55.1°(0.1), 57.5°(0.1), 61.3°(0.14), 64.7°(0.13), 69.1°(0.12), 73.2°(0.1), 75.3°(0.0... | JVASP-86684 | 4.49 7.19 7.87
90 90 90
Nd 0.750 0.472 0.818
Nd 0.250 0.028 0.318
Nd 0.750 0.972 0.682
Nd 0.250 0.528 0.182
Al 0.750 0.853 0.068
Al 0.250 0.647 0.568
Al 0.750 0.353 0.432
Al 0.250 0.147 0.932
Pt 0.750 0.716 0.390
Pt 0.750 0.216 0.110
Pt 0.250 0.284 0.610
Pt 0.250 0.784 0.890 |
Below is a description of a material. | The chemical formula is: Ba2HgBi.
The XRD pattern shows main peaks at: 29.8°(1.0), 42.6°(0.19), 52.9°(0.39), 61.9°(0.12), 70.2°(0.16), 85.7°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64163 | 6.00 6.00 6.00
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Hg 0.500 0.500 0.500
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4TiTe.
The XRD pattern shows main peaks at: 15.2°(0.22), 25.0°(0.15), 29.4°(1.0), 30.8°(0.51), 35.7°(0.12), 39.0°(0.07), 44.1°(0.06), 46.9°(0.36), 51.3°(0.33), 53.9°(0.05), 60.3°(0.12), 61.0°(0.22), 72.0°(0.22), 75.5°(0.05), 83.1°(0.06).
Generate atomic structure description with lattice leng... | JVASP-64770 | 7.12 7.12 7.12
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
Ti 0.000 0.000 0.000
Te 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: MnS.
The XRD pattern shows main peaks at: 25.8°(1.0), 27.7°(0.65), 29.4°(0.87), 38.2°(0.37), 45.6°(0.78), 50.0°(0.73), 53.1°(0.12), 54.2°(0.47), 55.1°(0.12), 61.0°(0.05), 70.0°(0.25), 74.2°(0.09), 79.4°(0.18), 84.3°(0.11), 87.6°(0.27).
Generate atomic structure description with lattice lengths,... | JVASP-14938 | 3.98 3.98 6.44
90 90 119
Mn 0.333 0.667 0.002
Mn 0.667 0.333 0.502
S 0.667 0.333 0.123
S 0.333 0.667 0.623 |
Below is a description of a material. | The chemical formula is: Ba4HfNb.
The XRD pattern shows main peaks at: 16.0°(0.07), 26.3°(0.3), 30.9°(1.0), 32.4°(0.42), 46.4°(0.13), 49.4°(0.4), 54.1°(0.32), 61.2°(0.05), 63.7°(0.14), 64.5°(0.18), 74.0°(0.06), 76.3°(0.24), 80.1°(0.06), 88.3°(0.08).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-64081 | 6.78 6.78 6.78
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
Nb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4GeBr.
The XRD pattern shows main peaks at: 15.5°(0.28), 25.5°(0.13), 29.9°(1.0), 31.3°(0.63), 36.3°(0.16), 39.7°(0.08), 44.9°(0.06), 47.7°(0.35), 52.3°(0.37), 54.9°(0.06), 61.4°(0.13), 62.2°(0.26), 73.5°(0.24), 77.1°(0.06), 84.8°(0.07), 85.5°(0.05).
Generate atomic structure description with... | JVASP-64220 | 7.00 7.00 7.00
60 60 60
Ba 0.123 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.123 0.626
Ba 0.626 0.626 0.123
Ge 0.000 0.000 0.000
Br 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba4ZnCd.
The XRD pattern shows main peaks at: 15.1°(0.18), 24.7°(0.17), 29.1°(1.0), 30.4°(0.55), 35.2°(0.11), 38.5°(0.05), 43.5°(0.07), 46.3°(0.38), 50.7°(0.35), 59.5°(0.13), 60.3°(0.21), 71.1°(0.23), 74.5°(0.06), 81.9°(0.07).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-64407 | 7.20 7.20 7.20
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
Zn 0.000 0.000 0.000
Cd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba4MgCu.
The XRD pattern shows main peaks at: 15.0°(0.56), 24.6°(0.06), 29.0°(1.0), 30.3°(0.75), 35.1°(0.23), 38.4°(0.17), 46.2°(0.35), 50.5°(0.34), 53.0°(0.12), 59.3°(0.13), 60.1°(0.31), 63.0°(0.06), 65.2°(0.07), 70.9°(0.2), 74.3°(0.06), 81.6°(0.07), 82.3°(0.06).
Generate atomic structure desc... | JVASP-64496 | 7.22 7.22 7.22
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
Mg 0.000 0.000 0.000
Cu 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Be2NbHg.
The XRD pattern shows main peaks at: 13.2°(0.39), 26.5°(0.65), 30.7°(0.93), 33.5°(0.19), 41.0°(1.0), 44.0°(0.39), 46.1°(0.09), 51.5°(0.06), 52.1°(0.42), 54.6°(0.11), 64.0°(0.32), 70.5°(0.17), 72.6°(0.34), 78.8°(0.3), 88.9°(0.11).
Generate atomic structure description with lattice lengt... | JVASP-65122 | 2.91 2.91 6.72
90 90 90
Be 0.000 0.000 0.754
Be 0.000 0.000 0.246
Nb 0.500 0.500 0.500
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ba4LiTc.
The XRD pattern shows main peaks at: 15.7°(0.56), 18.1°(0.06), 25.7°(0.08), 30.2°(1.0), 31.6°(0.76), 36.7°(0.24), 40.1°(0.16), 48.2°(0.35), 52.8°(0.35), 55.5°(0.13), 62.1°(0.14), 62.9°(0.32), 66.0°(0.05), 68.4°(0.06), 74.3°(0.23), 78.0°(0.06), 85.9°(0.07), 86.6°(0.07).
Generate atomic ... | JVASP-64126 | 6.93 6.93 6.93
60 60 60
Ba 0.121 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.121 0.626
Ba 0.626 0.626 0.121
Li 0.250 0.250 0.250
Tc 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeCoCl4.
The XRD pattern shows main peaks at: 18.7°(0.26), 21.7°(0.16), 30.8°(0.24), 36.3°(1.0), 38.0°(0.4), 48.3°(0.05), 49.7°(0.07), 54.8°(0.08), 58.4°(0.29), 64.2°(0.21), 76.0°(0.09), 77.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65000 | 5.81 5.81 5.81
60 60 60
Be 0.000 0.000 0.000
Co 0.750 0.750 0.750
Cl 0.375 0.375 0.375
Cl 0.375 0.875 0.375
Cl 0.375 0.375 0.875
Cl 0.875 0.375 0.375 |
Below is a description of a material. | The chemical formula is: Ba4ZrP.
The XRD pattern shows main peaks at: 15.6°(0.45), 25.6°(0.1), 30.1°(1.0), 31.5°(0.73), 36.6°(0.2), 40.0°(0.14), 48.1°(0.4), 52.7°(0.37), 55.3°(0.1), 61.9°(0.14), 62.7°(0.31), 65.8°(0.05), 68.1°(0.06), 74.1°(0.24), 77.7°(0.06), 85.5°(0.07), 86.3°(0.06).
Generate atomic structure descript... | JVASP-63994 | 6.95 6.95 6.95
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Zr 0.000 0.000 0.000
P 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: ZnH6C2N4O4.
The XRD pattern shows main peaks at: 14.2°(0.65), 20.5°(0.45), 21.1°(0.2), 23.0°(1.0), 26.8°(0.08), 27.4°(0.11), 28.8°(0.07), 29.5°(0.35), 32.4°(0.14), 34.5°(0.33), 35.0°(0.08), 36.2°(0.24), 38.1°(0.21), 39.5°(0.11), 41.7°(0.19), 42.8°(0.13), 43.4°(0.08), 46.4°(0.2), 54.6°(0.08), 55... | JVASP-97938 | 6.61 5.04 9.03
90 108 90
Zn 0.013 0.779 0.746
Zn 0.013 0.221 0.246
H 0.512 0.938 0.090
H 0.512 0.062 0.590
H 0.386 0.005 0.794
H 0.386 0.995 0.294
H 0.249 0.174 0.893
H 0.249 0.826 0.393
H 0.618 0.580 0.348
H 0.618 0.420 0.848
H 0.880 0.353 0.565
H 0.880 0.647 0.065
H 0.685 0.482 0.628
H 0.685 0.518 0.128
C 0.826 0.103... |
Below is a description of a material. | The chemical formula is: HgN6.
The XRD pattern shows main peaks at: 16.7°(0.39), 21.7°(1.0), 28.4°(0.27), 28.9°(0.13), 32.3°(0.33), 33.1°(0.29), 36.7°(0.11), 40.7°(0.12), 44.2°(0.15), 44.7°(0.07), 46.6°(0.29), 47.1°(0.12), 52.9°(0.12), 54.1°(0.09), 63.5°(0.06), 69.3°(0.07).
Generate atomic structure description with la... | JVASP-88170 | 6.26 6.28 10.63
90 90 90
Hg 0.763 0.765 0.965
Hg 0.237 0.265 0.035
Hg 0.237 0.765 0.465
Hg 0.763 0.265 0.535
N 0.947 0.619 0.417
N 0.609 0.270 0.882
N 0.882 0.119 0.190
N 0.804 0.606 0.212
N 0.118 0.619 0.810
N 0.529 0.884 0.539
N 0.053 0.119 0.583
N 0.471 0.384 0.461
N 0.529 0.384 0.961
N 0.947 0.119 0.083
N 0.609 0.7... |
Below is a description of a material. | The chemical formula is: BeAlB.
The XRD pattern shows main peaks at: 31.2°(0.97), 36.2°(0.57), 52.1°(1.0), 62.0°(0.35), 65.0°(0.14), 76.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15348 | 3.51 3.51 3.51
60 60 60
Be 0.500 0.500 0.500
Al 0.000 0.000 0.000
B 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Na2HgPb.
The XRD pattern shows main peaks at: 14.6°(0.19), 18.4°(1.0), 20.6°(0.53), 27.1°(0.12), 32.9°(0.9), 33.5°(0.29), 35.7°(0.53), 37.4°(0.44), 42.0°(0.3), 42.5°(0.28), 44.8°(0.21), 46.7°(0.09), 53.9°(0.16), 55.9°(0.09), 57.8°(0.16), 59.7°(0.13), 68.1°(0.09), 70.5°(0.09), 72.5°(0.13), 78.6°... | JVASP-91616 | 6.10 6.20 6.20
101 90 90
Na 0.250 0.137 0.511
Na 0.750 0.489 0.863
Na 0.750 0.863 0.489
Na 0.250 0.511 0.137
Hg 0.500 0.000 0.000
Hg 0.000 0.000 0.000
Pb 0.250 0.665 0.665
Pb 0.750 0.335 0.335 |
Below is a description of a material. | The chemical formula is: Ba4ZnSi.
The XRD pattern shows main peaks at: 15.5°(0.59), 25.5°(0.07), 29.9°(1.0), 31.3°(0.81), 36.3°(0.26), 39.7°(0.18), 47.8°(0.36), 52.3°(0.4), 54.9°(0.13), 61.4°(0.13), 62.2°(0.33), 65.3°(0.06), 67.6°(0.07), 73.5°(0.25), 77.1°(0.06), 84.9°(0.07), 85.6°(0.06).
Generate atomic structure desc... | JVASP-64042 | 7.00 7.00 7.00
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Zn 0.000 0.000 0.000
Si 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: MgRe2O8.
The XRD pattern shows main peaks at: 17.6°(0.2), 23.0°(1.0), 29.4°(0.11), 30.8°(0.36), 34.5°(0.13), 35.7°(0.08), 38.8°(0.12), 43.1°(0.13), 46.9°(0.11), 48.4°(0.12), 50.3°(0.27), 54.8°(0.07), 55.3°(0.07), 64.2°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-12050 | 5.80 5.80 6.08
90 89 120
Mg 1.000 0.000 -0.000
Re 0.333 0.667 0.288
Re 0.667 0.333 0.712
O 0.168 0.831 0.193
O 0.169 0.337 0.194
O 0.333 0.667 0.574
O 0.337 0.168 0.806
O 0.663 0.832 0.194
O 0.667 0.333 0.426
O 0.831 0.663 0.806
O 0.832 0.169 0.807 |
Below is a description of a material. | The chemical formula is: K4Rb2Co2O5.
The XRD pattern shows main peaks at: 13.2°(0.06), 20.2°(0.09), 24.2°(0.11), 29.7°(0.14), 30.7°(1.0), 33.6°(0.24), 37.9°(0.26), 43.3°(0.17), 49.5°(0.14), 58.8°(0.11), 60.6°(0.05), 64.0°(0.07), 65.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinate... | JVASP-88021 | 6.72 6.72 11.64
90 90 90
K 0.000 0.000 0.778
K 0.184 0.816 0.500
K 0.316 0.316 0.000
K 0.000 0.500 0.750
K 0.000 0.500 0.250
K 0.000 0.000 0.222
K 0.500 0.500 0.722
K 0.500 0.500 0.278
Rb 0.816 0.184 0.500
Rb 0.500 0.000 0.750
Rb 0.684 0.684 0.000
Rb 0.500 0.000 0.250
Co 0.198 0.802 0.000
Co 0.698 0.698 0.500
Co 0.302 ... |
Below is a description of a material. | The chemical formula is: Sm2TeO2.
The XRD pattern shows main peaks at: 30.7°(1.0), 31.6°(0.38), 42.7°(0.07), 45.2°(0.18), 54.0°(0.22), 55.7°(0.36), 63.9°(0.1), 65.9°(0.06), 70.7°(0.08), 74.5°(0.07), 74.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-3327 | 4.01 4.01 6.96
106 106 90
Sm 0.660 0.660 0.320
Sm 0.340 0.340 0.680
Te 0.000 0.000 0.000
O 0.250 0.750 0.500
O 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Na4BeSi.
The XRD pattern shows main peaks at: 18.6°(0.24), 21.5°(0.08), 30.5°(0.16), 36.0°(1.0), 37.6°(0.51), 43.7°(0.1), 47.9°(0.06), 54.3°(0.06), 57.9°(0.3), 63.6°(0.25), 75.3°(0.09), 76.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65089 | 5.85 5.85 5.85
60 60 60
Na 0.126 0.625 0.625
Na 0.625 0.625 0.625
Na 0.625 0.126 0.625
Na 0.625 0.625 0.126
Be 0.000 0.000 0.000
Si 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba4YBi.
The XRD pattern shows main peaks at: 15.0°(0.07), 24.5°(0.27), 28.9°(1.0), 30.2°(0.39), 43.2°(0.14), 46.0°(0.38), 50.3°(0.32), 56.8°(0.06), 59.1°(0.13), 59.8°(0.17), 68.4°(0.06), 70.5°(0.25), 73.9°(0.05), 81.2°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-64705 | 7.25 7.25 7.25
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Y 0.000 0.000 0.000
Bi 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba4RhBr.
The XRD pattern shows main peaks at: 15.8°(0.17), 25.9°(0.17), 30.4°(1.0), 31.8°(0.54), 36.9°(0.11), 45.6°(0.07), 48.6°(0.35), 53.2°(0.34), 62.5°(0.13), 63.3°(0.22), 74.9°(0.22), 78.6°(0.05), 86.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-63953 | 6.89 6.89 6.89
60 60 60
Ba 0.123 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.123 0.626
Ba 0.626 0.626 0.123
Rh 0.000 0.000 0.000
Br 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SmZnNi.
The XRD pattern shows main peaks at: 23.4°(0.06), 25.0°(0.14), 29.0°(0.16), 34.5°(1.0), 37.6°(0.82), 38.7°(0.45), 44.1°(0.21), 45.7°(0.12), 47.8°(0.22), 53.6°(0.16), 59.3°(0.29), 63.1°(0.22), 67.1°(0.11), 71.2°(0.2), 74.7°(0.12), 80.4°(0.09), 82.2°(0.13).
Generate atomic structure descr... | JVASP-90177 | 3.80 7.11 7.11
120 90 90
Sm 0.500 0.589 -0.000
Sm 0.500 0.411 0.411
Sm 0.500 1.000 0.589
Zn 0.000 0.240 -0.000
Zn 0.000 0.760 0.760
Zn 0.000 -0.000 0.240
Ni 0.000 0.333 0.667
Ni 0.000 0.667 0.333
Ni 0.500 1.000 -0.000 |
Below is a description of a material. | The chemical formula is: LiMn2OF3.
The XRD pattern shows main peaks at: 17.1°(0.21), 23.8°(1.0), 33.3°(0.29), 33.6°(0.26), 34.6°(0.06), 37.6°(0.55), 48.0°(0.28), 48.8°(0.65), 59.5°(0.3), 61.4°(0.12), 80.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-48807 | 6.22 6.22 5.19
89 90 60
Li 0.667 0.667 0.022
Li 0.333 0.333 0.978
Mn 0.500 0.500 0.500
Mn -0.000 0.500 0.500
Mn 0.500 0.000 0.500
Mn 0.000 0.000 0.000
O 0.667 0.667 0.664
O 0.333 0.333 0.336
F 0.348 0.826 0.211
F 0.826 0.826 0.211
F 0.174 0.652 0.789
F 0.826 0.348 0.211
F 0.652 0.174 0.789
F 0.174 0.174 0.789 |
Below is a description of a material. | The chemical formula is: SeBr6N2.
The XRD pattern shows main peaks at: 15.3°(0.1), 17.7°(0.71), 29.6°(0.12), 30.9°(1.0), 35.8°(0.87), 39.2°(0.1), 40.2°(0.33), 51.6°(0.6), 55.0°(0.16), 61.3°(0.34), 64.4°(0.21), 67.4°(0.08), 72.4°(0.05), 75.9°(0.09), 78.7°(0.1), 84.2°(0.08), 86.9°(0.13).
Generate atomic structure descrip... | JVASP-90243 | 7.09 7.09 7.09
60 60 60
Se 0.000 0.000 0.000
Br 0.744 0.256 0.256
Br 0.744 0.256 0.744
Br 0.744 0.744 0.256
Br 0.256 0.744 0.744
Br 0.256 0.744 0.256
Br 0.256 0.256 0.744
N 0.250 0.250 0.250
N 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: USnPt.
The XRD pattern shows main peaks at: 23.9°(0.09), 27.6°(0.1), 32.2°(0.75), 35.2°(1.0), 36.8°(0.32), 42.0°(0.33), 43.0°(0.23), 43.5°(0.27), 55.9°(0.17), 58.3°(0.18), 62.1°(0.2), 67.1°(0.28), 72.8°(0.09), 74.5°(0.12), 77.4°(0.11).
Generate atomic structure description with lattice lengths,... | JVASP-90049 | 4.16 7.46 7.46
119 90 90
U 0.500 0.587 0.000
U 0.500 0.413 0.413
U 0.500 1.000 0.587
Sn 0.000 0.255 -0.000
Sn 0.000 0.745 0.745
Sn 0.000 -0.000 0.255
Pt 0.000 0.333 0.667
Pt 0.000 0.667 0.333
Pt 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: LaNi2.
The XRD pattern shows main peaks at: 20.8°(0.06), 34.3°(0.51), 40.5°(1.0), 42.4°(0.19), 61.5°(0.21), 65.7°(0.31), 72.4°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86382 | 5.22 5.22 5.22
60 60 60
La 0.125 0.125 0.125
La 0.875 0.875 0.875
Ni 0.500 0.000 0.500
Ni 0.000 0.500 0.500
Ni 0.500 0.500 0.500
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Mg7Bi.
The XRD pattern shows main peaks at: 15.8°(0.99), 16.8°(0.31), 23.2°(0.96), 27.6°(0.31), 32.0°(0.4), 32.5°(0.41), 34.0°(0.27), 36.3°(1.0), 37.7°(0.26), 44.4°(0.16), 46.2°(0.27), 47.4°(0.27), 57.0°(0.19), 62.4°(0.23), 68.1°(0.21), 69.5°(0.17).
Generate atomic structure description with la... | JVASP-91896 | 6.46 6.46 5.27
90 90 120
Mg 0.164 0.832 0.250
Mg 0.668 0.336 0.250
Mg 0.668 0.832 0.250
Mg 0.340 0.160 0.750
Mg 0.340 0.679 0.750
Mg 0.821 0.160 0.750
Mg 0.833 0.667 0.750
Bi 0.167 0.333 0.250 |
Below is a description of a material. | The chemical formula is: NaMo3P3O16.
The XRD pattern shows main peaks at: 12.0°(0.13), 14.7°(0.46), 19.7°(0.97), 20.1°(0.48), 20.6°(0.82), 21.4°(0.82), 24.1°(1.0), 25.9°(0.46), 26.3°(0.17), 28.1°(0.18), 28.6°(0.16), 29.2°(0.35), 29.6°(0.89), 30.5°(0.2), 32.0°(0.34), 34.5°(0.17), 35.1°(0.23), 36.0°(0.16), 40.0°(0.21), 4... | JVASP-97399 | 6.44 7.54 12.88
79 79 82
Na 0.409 0.693 0.675
Na 0.591 0.307 0.325
Mo 0.208 0.215 0.538
Mo 0.792 0.785 0.462
Mo 0.410 0.746 0.162
Mo 0.590 0.254 0.838
Mo 0.065 0.206 0.144
Mo 0.935 0.794 0.856
P 0.942 0.516 0.684
P 0.058 0.484 0.316
P 0.692 0.148 0.580
P 0.308 0.852 0.420
P 0.423 0.837 0.898
P 0.577 0.163 0.102
O 0.249... |
Below is a description of a material. | The chemical formula is: Li5Mn3Fe2O10.
The XRD pattern shows main peaks at: 12.8°(0.61), 19.2°(1.0), 23.9°(0.19), 27.4°(0.21), 31.1°(0.17), 34.1°(0.06), 36.7°(0.26), 37.5°(0.11), 38.4°(0.13), 38.9°(0.09), 44.8°(0.81), 45.4°(0.5), 64.4°(0.14), 65.4°(0.14), 66.0°(0.34), 82.5°(0.06), 83.5°(0.06), 84.3°(0.06).
Generate ato... | JVASP-48316 | 4.91 4.87 7.61
102 108 99
Li 0.089 0.784 0.586
Li 0.710 0.611 0.221
Li 0.500 0.500 0.500
Li 0.290 0.389 0.779
Li 0.911 0.216 0.414
Mn 0.500 0.000 0.000
Mn 0.114 0.302 0.109
Mn 0.886 0.698 0.891
Fe 0.696 0.100 0.694
Fe 0.304 0.900 0.306
O 0.713 0.336 0.948
O 0.905 0.950 0.140
O 0.287 0.664 0.052
O 0.681 0.869 0.454
O 0.... |
Below is a description of a material. | The chemical formula is: MnNb2Zn2O8.
The XRD pattern shows main peaks at: 20.8°(0.13), 23.4°(0.19), 28.3°(0.81), 30.7°(0.16), 32.7°(1.0), 33.5°(0.88), 34.1°(0.6), 35.2°(0.86), 40.0°(0.12), 44.3°(0.24), 45.5°(0.23), 48.6°(0.13), 52.7°(0.14), 53.1°(0.47), 53.5°(0.17), 59.7°(0.32), 61.2°(0.17), 61.8°(0.45), 64.1°(0.19), 6... | JVASP-98856 | 5.26 5.83 9.82
107 88 90
Mn 0.250 0.377 -0.000
Mn 0.750 0.623 0.000
Nb 0.254 0.946 0.219
Nb 0.746 0.054 0.781
Nb 0.754 0.273 0.219
Nb 0.246 0.727 0.781
Zn 0.264 0.120 0.564
Zn 0.236 0.555 0.436
Zn 0.736 0.880 0.436
Zn 0.764 0.445 0.564
O 0.556 0.730 0.651
O 0.944 0.079 0.349
O 0.870 0.551 0.383
O 0.100 0.193 0.124
O 0.... |
Below is a description of a material. | The chemical formula is: Ba4CdSi.
The XRD pattern shows main peaks at: 15.5°(0.34), 17.9°(0.06), 25.4°(0.13), 29.8°(1.0), 31.2°(0.69), 36.2°(0.18), 39.6°(0.11), 44.7°(0.05), 47.6°(0.4), 52.1°(0.37), 54.7°(0.09), 61.2°(0.14), 62.0°(0.28), 73.2°(0.24), 76.8°(0.06), 84.5°(0.08), 85.2°(0.06).
Generate atomic structure desc... | JVASP-64165 | 7.02 7.02 7.02
60 60 60
Ba 0.122 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.122 0.626
Ba 0.626 0.626 0.122
Cd 0.250 0.250 0.250
Si 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ErGa2Pd.
The XRD pattern shows main peaks at: 22.0°(0.14), 27.2°(0.2), 35.2°(0.99), 35.7°(0.19), 36.3°(1.0), 38.3°(0.35), 40.9°(0.48), 43.7°(0.33), 45.2°(0.18), 54.2°(0.1), 55.7°(0.12), 56.1°(0.1), 57.3°(0.22), 62.6°(0.13), 68.7°(0.1), 70.3°(0.1), 70.8°(0.19), 71.5°(0.2), 81.8°(0.16), 85.1°(0.0... | JVASP-91570 | 4.41 5.49 6.56
90 90 113
Er 0.410 0.820 0.250
Er 0.590 0.180 0.750
Ga 0.126 0.252 0.448
Ga 0.874 0.748 0.552
Ga 0.126 0.252 0.052
Ga 0.874 0.748 0.948
Pd 0.699 0.398 0.250
Pd 0.301 0.602 0.750 |
Below is a description of a material. | The chemical formula is: LaPPd.
The XRD pattern shows main peaks at: 23.9°(0.11), 26.4°(0.18), 32.9°(1.0), 42.1°(0.45), 45.3°(0.12), 54.4°(0.23), 63.6°(0.25), 71.1°(0.21), 76.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86451 | 4.29 4.29 8.00
90 90 119
La 0.000 0.000 0.500
La 0.000 0.000 0.000
P 0.667 0.333 0.750
P 0.333 0.667 0.250
Pd 0.333 0.667 0.750
Pd 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: SmSb2Pd.
The XRD pattern shows main peaks at: 9.1°(0.1), 27.1°(0.1), 33.8°(1.0), 37.0°(0.1), 40.2°(0.38), 51.3°(0.11), 53.8°(0.08), 55.8°(0.11), 58.2°(0.14), 67.1°(0.1), 69.0°(0.23), 71.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91801 | 4.48 4.48 9.71
90 90 90
Sm 0.750 0.750 0.746
Sm 0.250 0.250 0.254
Sb 0.250 0.750 0.000
Sb 0.750 0.250 0.000
Sb 0.750 0.750 0.340
Sb 0.250 0.250 0.660
Pd 0.250 0.750 0.500
Pd 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Sr2InPt2.
The XRD pattern shows main peaks at: 17.2°(0.67), 19.2°(0.28), 21.5°(0.47), 21.9°(0.31), 29.6°(0.21), 31.3°(0.3), 31.9°(0.34), 33.7°(0.55), 34.5°(0.42), 35.5°(0.87), 37.0°(0.49), 37.9°(1.0), 40.3°(0.17), 41.5°(0.19), 45.6°(0.23), 46.0°(0.38), 55.5°(0.25), 61.6°(0.29), 62.0°(0.28), 64.... | JVASP-87922 | 6.02 6.02 8.36
78 78 59
Sr 0.497 0.208 0.647
Sr 0.792 0.503 0.853
Sr 0.503 0.792 0.353
Sr 0.208 0.497 0.147
In 0.142 0.858 0.750
In 0.858 0.142 0.250
Pt 0.723 0.000 0.002
Pt 1.000 0.277 0.498
Pt 0.277 1.000 0.998
Pt 0.000 0.723 0.502 |
Below is a description of a material. | The chemical formula is: MnAlO3.
The XRD pattern shows main peaks at: 17.0°(0.73), 18.3°(0.16), 20.8°(0.75), 22.0°(1.0), 22.9°(0.56), 27.9°(0.32), 30.6°(0.16), 34.8°(0.57), 37.2°(0.12), 38.0°(0.09), 38.8°(0.43), 41.2°(0.11), 43.3°(0.33), 52.5°(0.26), 54.1°(0.18), 54.7°(0.15), 57.0°(0.09), 60.5°(0.18), 68.2°(0.1), 68.6°... | JVASP-43051 | 7.52 6.54 5.72
66 133 137
Mn 0.303 0.688 0.052
Mn 0.697 0.312 -0.052
Al 0.438 0.634 0.746
Al 0.562 0.366 0.254
O 0.757 0.620 0.046
O 0.802 0.501 0.664
O 0.514 0.085 0.179
O 0.486 0.915 0.821
O 0.198 0.499 0.336
O 0.243 0.380 0.954 |
Below is a description of a material. | The chemical formula is: Eu.
The XRD pattern shows main peaks at: 28.5°(0.23), 31.1°(0.26), 32.6°(1.0), 42.7°(0.16), 50.5°(0.2), 56.3°(0.21), 60.5°(0.23), 61.4°(0.16), 79.0°(0.08), 83.4°(0.14), 86.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-88846 | 3.61 3.61 5.75
90 90 120
Eu 0.333 0.667 0.250
Eu 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Ba4MnCo.
The XRD pattern shows main peaks at: 15.8°(0.43), 25.9°(0.09), 30.5°(1.0), 31.9°(0.66), 37.0°(0.19), 40.4°(0.13), 48.6°(0.35), 53.3°(0.34), 55.9°(0.1), 62.6°(0.12), 63.4°(0.28), 66.6°(0.05), 68.9°(0.05), 75.0°(0.22), 78.7°(0.06), 86.7°(0.07), 87.4°(0.06).
Generate atomic structure desc... | JVASP-64082 | 6.88 6.88 6.88
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
Mn 0.000 0.000 0.000
Co 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba4MnNi.
The XRD pattern shows main peaks at: 15.9°(0.43), 26.1°(0.09), 30.7°(1.0), 32.1°(0.67), 37.2°(0.21), 40.7°(0.12), 48.9°(0.36), 53.6°(0.38), 56.3°(0.1), 63.0°(0.13), 63.8°(0.28), 69.4°(0.06), 75.5°(0.24), 79.2°(0.06), 87.3°(0.07), 88.0°(0.06).
Generate atomic structure description with ... | JVASP-64356 | 6.84 6.84 6.84
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
Mn 0.250 0.250 0.250
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KBiP2Se6.
The XRD pattern shows main peaks at: 7.7°(0.97), 13.9°(0.28), 14.3°(0.41), 15.1°(0.22), 19.3°(0.29), 22.5°(0.22), 24.9°(0.26), 28.0°(0.24), 29.3°(1.0), 30.5°(0.26), 31.0°(0.37), 31.7°(0.43), 32.7°(0.43), 33.2°(0.16), 35.2°(0.29), 36.5°(0.13), 37.6°(0.34), 41.8°(0.15), 48.6°(0.14), 53.... | JVASP-97642 | 7.63 12.33 12.54
110 90 90
K 0.587 0.408 0.132
K 0.413 0.592 0.868
K 0.913 0.408 0.632
K 0.087 0.592 0.368
Bi 0.641 0.881 0.665
Bi 0.141 0.119 0.835
Bi 0.359 0.119 0.335
Bi 0.859 0.881 0.165
P 0.904 0.760 0.818
P 0.373 0.760 0.197
P 0.404 0.240 0.682
P 0.596 0.760 0.318
P 0.873 0.240 0.303
P 0.627 0.240 0.803
P 0.096 0... |
Below is a description of a material. | The chemical formula is: Bi5IO7.
The XRD pattern shows main peaks at: 6.9°(0.09), 13.3°(0.05), 27.6°(1.0), 28.0°(0.47), 29.6°(0.39), 31.0°(0.56), 35.8°(0.18), 42.9°(0.19), 47.0°(0.24), 49.1°(0.24), 52.0°(0.17), 52.9°(0.15), 55.5°(0.09), 57.0°(0.11), 59.4°(0.08), 69.4°(0.08), 71.2°(0.06).
Generate atomic structure descr... | JVASP-98513 | 4.22 9.56 13.13
103 90 102
Bi 0.206 0.412 0.369
Bi 0.724 0.449 0.871
Bi 0.122 0.243 0.597
Bi 0.878 0.757 0.403
Bi 0.467 0.934 0.633
Bi 0.276 0.551 0.129
Bi 0.386 0.772 0.877
Bi 0.614 0.228 0.123
Bi 0.794 0.588 0.631
Bi 0.533 0.066 0.367
I 0.059 0.119 0.870
I 0.941 0.881 0.130
O 0.926 0.851 0.585
O 0.308 0.616 0.297
O 0... |
Below is a description of a material. | The chemical formula is: Ba4TiHg.
The XRD pattern shows main peaks at: 15.4°(0.15), 17.8°(0.09), 25.2°(0.25), 29.7°(1.0), 31.0°(0.49), 36.0°(0.06), 40.4°(0.05), 44.4°(0.11), 47.3°(0.39), 51.8°(0.31), 60.8°(0.14), 61.6°(0.19), 70.5°(0.05), 72.7°(0.26), 76.2°(0.05), 83.9°(0.07).
Generate atomic structure description with... | JVASP-64408 | 7.07 7.07 7.07
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
Ti 0.000 0.000 0.000
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba4GaSe.
The XRD pattern shows main peaks at: 15.6°(0.29), 25.6°(0.13), 30.1°(1.0), 31.5°(0.61), 36.5°(0.15), 39.9°(0.08), 45.1°(0.05), 48.0°(0.33), 52.6°(0.35), 55.2°(0.06), 61.8°(0.12), 62.6°(0.24), 74.0°(0.23), 77.6°(0.05), 85.5°(0.06).
Generate atomic structure description with lattice leng... | JVASP-64224 | 6.96 6.96 6.96
60 60 60
Ba 0.122 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.122 0.626
Ba 0.626 0.626 0.122
Ga 0.250 0.250 0.250
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgBe2In.
The XRD pattern shows main peaks at: 23.6°(0.57), 24.8°(1.0), 31.0°(0.6), 39.3°(0.78), 42.3°(0.24), 44.4°(0.3), 48.3°(0.11), 50.9°(0.29), 51.5°(0.24), 58.5°(0.17), 63.0°(0.15), 64.6°(0.09), 67.7°(0.16), 69.8°(0.1), 73.4°(0.09), 78.4°(0.2), 83.2°(0.06), 84.1°(0.09), 84.6°(0.08), 87.1°(0... | JVASP-64296 | 4.74 4.74 4.74
129 129 74
Mg 0.750 0.250 0.500
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
In 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Ti3Cu3O.
The XRD pattern shows main peaks at: 13.7°(0.18), 31.9°(0.08), 39.4°(0.25), 41.9°(1.0), 45.8°(0.32), 71.4°(0.1), 73.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-97353 | 7.93 7.93 7.93
60 60 60
Ti 0.440 0.440 0.810
Ti 0.810 0.810 0.440
Ti 0.560 0.190 0.190
Ti 0.810 0.440 0.440
Ti 0.190 0.560 0.560
Ti 0.440 0.810 0.810
Ti 0.810 0.440 0.810
Ti 0.560 0.190 0.560
Ti 0.190 0.560 0.190
Ti 0.440 0.810 0.440
Ti 0.190 0.190 0.560
Ti 0.560 0.560 0.190
Cu 0.210 0.870 0.210
Cu 0.790 0.790 0.790
Cu... |
Below is a description of a material. | The chemical formula is: Rb3IrN6O12.
The XRD pattern shows main peaks at: 14.5°(0.37), 23.8°(1.0), 29.3°(0.11), 34.0°(0.57), 41.9°(0.6), 48.8°(0.32), 55.0°(0.28), 66.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-98012 | 7.47 7.47 7.47
60 60 60
Rb 0.750 0.750 0.750
Rb 0.500 0.500 0.500
Rb 0.250 0.250 0.250
Ir 0.000 0.000 0.000
N 0.808 0.808 0.192
N 0.192 0.808 0.192
N 0.192 0.192 0.808
N 0.808 0.192 0.808
N 0.192 0.808 0.808
N 0.808 0.192 0.192
O 0.411 0.000 0.589
O -0.000 0.411 0.589
O 0.000 0.000 0.589
O 0.000 0.589 0.000
O 0.000 0.5... |
Below is a description of a material. | The chemical formula is: Co2GeO4.
The XRD pattern shows main peaks at: 30.3°(0.33), 35.7°(1.0), 37.3°(0.07), 43.4°(0.13), 57.4°(0.32), 63.0°(0.39).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86605 | 5.90 5.90 5.90
59 60 60
Co 0.500 0.000 0.500
Co 0.000 0.500 0.500
Co 0.500 0.500 0.500
Co 0.500 0.500 1.000
Ge 0.875 0.875 0.875
Ge 0.125 0.125 0.125
O 0.250 0.250 0.250
O 0.250 0.750 0.750
O 0.750 0.750 0.250
O 0.750 0.250 0.250
O 0.750 0.250 0.750
O 0.250 0.750 0.250
O 0.250 0.250 0.750
O 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: TiFeH2.
The XRD pattern shows main peaks at: 37.0°(0.07), 38.2°(0.24), 39.5°(0.34), 42.1°(1.0), 43.2°(0.18), 56.1°(0.15), 65.8°(0.06), 68.3°(0.07), 71.7°(0.07), 73.5°(0.15), 79.6°(0.07), 81.9°(0.08), 85.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-91661 | 2.84 4.56 4.71
90 90 90
Ti 0.500 0.300 0.290
Ti 0.500 0.800 0.710
Fe 0.000 0.791 0.193
Fe 0.000 0.291 0.807
H 0.500 0.438 0.911
H 0.500 0.938 0.089
H 0.000 0.552 0.492
H 0.000 0.052 0.508 |
Below is a description of a material. | The chemical formula is: CeAl.
The XRD pattern shows main peaks at: 18.8°(0.5), 22.6°(0.2), 24.0°(0.3), 29.3°(0.51), 30.7°(0.27), 33.6°(0.38), 35.3°(1.0), 37.1°(0.09), 37.6°(0.15), 38.8°(0.3), 41.7°(0.25), 46.7°(0.12), 52.2°(0.17), 53.0°(0.24), 56.0°(0.22), 58.8°(0.19), 61.1°(0.25), 61.9°(0.15), 72.3°(0.14), 74.4°(0.09... | JVASP-92206 | 5.34 6.00 6.00
103 90 90
Ce 0.250 0.375 0.985
Ce 0.750 0.625 0.015
Ce 0.250 0.985 0.375
Ce 0.750 0.015 0.625
Al 0.250 0.833 0.833
Al 0.750 0.167 0.167
Al 0.000 0.500 0.500
Al 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4LiCo.
The XRD pattern shows main peaks at: 15.3°(0.77), 29.5°(1.0), 30.8°(0.85), 35.7°(0.31), 39.1°(0.22), 47.0°(0.36), 51.4°(0.36), 54.0°(0.18), 60.4°(0.13), 61.2°(0.34), 64.2°(0.08), 66.4°(0.1), 72.2°(0.23), 75.7°(0.06), 83.3°(0.06), 83.9°(0.07), 86.6°(0.05).
Generate atomic structure desc... | JVASP-64497 | 7.11 7.11 7.11
60 60 60
Ba 0.129 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.129 0.624
Ba 0.624 0.624 0.129
Li 0.000 0.000 0.000
Co 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba4NbTc.
The XRD pattern shows main peaks at: 15.8°(0.16), 25.9°(0.17), 30.5°(1.0), 31.9°(0.52), 37.0°(0.1), 45.8°(0.08), 48.7°(0.36), 53.4°(0.32), 62.7°(0.12), 63.5°(0.19), 75.1°(0.21), 86.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64043 | 6.87 6.87 6.87
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
Nb 0.250 0.250 0.250
Tc 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NdPt.
The XRD pattern shows main peaks at: 19.6°(0.2), 27.7°(0.12), 31.1°(0.73), 33.5°(0.43), 34.9°(1.0), 39.0°(0.98), 40.0°(0.2), 44.8°(0.15), 52.3°(0.28), 57.2°(0.14), 61.5°(0.14), 65.1°(0.17), 66.0°(0.08), 67.2°(0.24), 68.3°(0.15), 70.9°(0.15), 73.8°(0.08), 75.4°(0.17), 78.6°(0.08), 86.0°(0.... | JVASP-90863 | 4.60 5.74 7.35
90 90 90
Nd 0.250 0.358 0.683
Nd 0.250 0.142 0.183
Nd 0.750 0.642 0.317
Nd 0.750 0.858 0.817
Pt 0.250 0.843 0.545
Pt 0.250 0.657 0.045
Pt 0.750 0.157 0.455
Pt 0.750 0.343 0.955 |
Below is a description of a material. | The chemical formula is: Ba4HfGa.
The XRD pattern shows main peaks at: 15.4°(0.1), 25.3°(0.21), 29.8°(1.0), 31.2°(0.42), 36.2°(0.05), 44.7°(0.1), 47.5°(0.34), 52.1°(0.29), 61.1°(0.12), 61.9°(0.17), 71.0°(0.05), 73.1°(0.21), 76.7°(0.05), 84.4°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-63995 | 7.03 7.03 7.03
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 0.000 0.000 0.000
Ga 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BeFe4Ir.
The XRD pattern shows main peaks at: 23.4°(0.43), 27.1°(0.46), 38.7°(0.41), 45.7°(1.0), 47.9°(0.34), 61.4°(0.09), 63.2°(0.17), 70.1°(0.14), 75.0°(0.32), 83.0°(0.18), 87.8°(0.08), 89.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-65001 | 4.65 4.65 4.65
60 60 60
Be 0.000 0.000 0.000
Fe 0.375 0.375 0.375
Fe 0.375 0.875 0.375
Fe 0.375 0.375 0.875
Fe 0.875 0.375 0.375
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li5TiV3O8.
The XRD pattern shows main peaks at: 14.4°(0.88), 15.1°(0.59), 17.5°(0.06), 23.1°(0.64), 23.9°(0.1), 28.5°(0.07), 29.1°(0.23), 29.5°(0.11), 31.7°(0.18), 37.8°(0.15), 38.4°(0.12), 44.2°(1.0), 47.0°(0.08), 48.3°(0.08), 53.1°(0.06), 63.5°(0.15), 64.5°(0.55), 65.1°(0.13), 80.8°(0.13), 82... | JVASP-48396 | 4.07 6.49 6.43
106 89 108
Li 0.942 0.897 0.642
Li 0.810 0.634 0.009
Li 0.172 0.358 0.005
Li 0.496 0.005 0.004
Li 0.047 0.107 0.360
Ti 0.278 0.569 0.678
V 0.711 0.435 0.339
V 0.612 0.237 0.674
V 0.379 0.771 0.326
O 0.652 0.316 0.006
O 0.880 0.774 0.325
O 0.441 0.894 0.664
O 0.784 0.582 0.683
O 0.333 0.680 0.998
O 0.209 ... |
Below is a description of a material. | The chemical formula is: Mn3O4F2.
The XRD pattern shows main peaks at: 26.4°(1.0), 28.8°(0.99), 36.1°(0.67), 36.5°(0.44), 39.5°(0.17), 40.3°(0.1), 42.4°(0.16), 42.8°(0.11), 52.9°(0.35), 53.9°(0.29), 54.5°(0.15), 55.9°(0.3), 56.3°(0.25), 59.8°(0.16), 63.1°(0.16), 66.5°(0.09), 69.2°(0.26), 70.1°(0.18), 70.9°(0.11), 85.1°... | JVASP-48482 | 7.41 5.41 5.41
69 69 69
Mn 0.839 0.671 0.671
Mn 0.667 0.333 0.333
Mn 0.318 0.642 0.642
Mn 0.167 0.333 0.333
Mn 0.495 0.996 0.996
Mn 0.015 0.025 0.025
O 0.014 0.703 0.313
O 0.014 0.313 0.703
O 0.667 0.634 0.033
O 0.319 0.964 0.354
O 0.953 0.250 0.250
O 0.319 0.354 0.964
O 0.667 0.033 0.634
O 0.380 0.417 0.417
F 0.693 0.... |
Below is a description of a material. | The chemical formula is: LiMnPd2.
The XRD pattern shows main peaks at: 25.3°(0.09), 29.3°(0.42), 41.9°(1.0), 52.0°(0.11), 60.8°(0.16), 68.9°(0.15), 76.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42891 | 4.31 4.31 4.31
60 60 60
Li 0.250 0.250 0.250
Mn 0.750 0.750 0.750
Pd 0.000 0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba4BiBr.
The XRD pattern shows main peaks at: 15.2°(0.08), 25.0°(0.28), 29.4°(1.0), 30.8°(0.37), 44.1°(0.12), 46.9°(0.38), 51.3°(0.3), 57.9°(0.05), 60.3°(0.13), 61.1°(0.15), 69.9°(0.06), 72.1°(0.22), 83.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-64636 | 7.12 7.12 7.12
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Bi 0.250 0.250 0.250
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Th2Ag.
The XRD pattern shows main peaks at: 30.4°(1.0), 33.3°(0.05), 34.8°(0.19), 37.3°(0.3), 38.7°(0.17), 50.9°(0.05), 51.9°(0.14), 54.1°(0.21), 57.7°(0.13), 60.5°(0.18), 68.2°(0.15), 70.1°(0.06), 75.9°(0.07), 82.8°(0.07), 84.5°(0.08), 88.0°(0.06).
Generate atomic structure description with la... | JVASP-85867 | 5.87 6.13 6.13
76 61 61
Th 0.344 0.500 0.812
Th 0.656 0.500 0.188
Th 0.844 0.812 0.500
Th 0.156 0.188 0.500
Ag 0.750 0.000 0.000
Ag 0.250 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HoB7Mo3.
The XRD pattern shows main peaks at: 21.2°(0.05), 22.2°(0.25), 28.8°(0.42), 32.0°(0.11), 33.2°(1.0), 33.9°(0.43), 35.4°(0.13), 37.1°(0.13), 40.6°(0.07), 41.2°(0.59), 42.8°(0.23), 43.6°(0.32), 46.5°(0.08), 47.6°(0.07), 55.4°(0.07), 59.7°(0.13), 63.0°(0.11), 67.6°(0.08), 70.0°(0.08), 76.... | JVASP-98746 | 3.10 11.03 12.91
90 90 90
Ho 0.750 0.950 0.308
Ho 0.250 0.050 0.692
Ho 0.750 0.450 0.192
Ho 0.250 0.550 0.808
B 0.250 0.315 0.067
B 0.750 0.185 0.567
B 0.250 0.815 0.433
B 0.750 0.568 0.384
B 0.250 0.432 0.616
B 0.750 0.068 0.116
B 0.250 0.932 0.884
B 0.750 0.537 0.982
B 0.750 0.037 0.518
B 0.750 0.685 0.933
B 0.250 0.... |
Below is a description of a material. | The chemical formula is: Ba4MgCo.
The XRD pattern shows main peaks at: 15.4°(0.63), 25.3°(0.06), 29.7°(1.0), 31.1°(0.78), 36.0°(0.25), 39.4°(0.18), 47.4°(0.37), 51.9°(0.37), 54.5°(0.13), 60.9°(0.12), 61.7°(0.32), 64.8°(0.07), 67.1°(0.07), 72.9°(0.23), 76.4°(0.05), 84.1°(0.07), 84.8°(0.07).
Generate atomic structure des... | JVASP-64566 | 7.05 7.05 7.05
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Mg 0.000 0.000 0.000
Co 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: DyMn2O5.
The XRD pattern shows main peaks at: 15.7°(0.38), 26.2°(0.14), 26.8°(0.13), 29.0°(0.68), 31.2°(1.0), 31.6°(0.15), 33.9°(0.39), 35.7°(0.25), 38.2°(0.15), 41.9°(0.28), 44.3°(0.12), 46.1°(0.17), 47.1°(0.18), 52.3°(0.12), 53.9°(0.11), 54.7°(0.11), 56.1°(0.18), 60.0°(0.2), 60.8°(0.15), 62.4... | JVASP-97691 | 5.66 7.23 8.52
90 90 90
Dy 0.000 0.138 0.172
Dy 0.000 0.638 0.328
Dy 0.000 0.362 0.672
Dy 0.000 0.862 0.828
Mn 0.256 0.000 0.500
Mn 0.744 0.500 0.000
Mn 0.744 0.000 0.500
Mn 0.256 0.500 0.000
Mn 0.500 0.406 0.352
Mn 0.500 0.594 0.648
Mn 0.500 0.906 0.148
Mn 0.500 0.094 0.852
O 0.000 0.335 0.945
O 0.000 0.665 0.055
O 0.... |
Below is a description of a material. | The chemical formula is: ZnFeO3.
The XRD pattern shows main peaks at: 24.4°(0.31), 33.4°(1.0), 36.2°(0.87), 38.9°(0.15), 41.4°(0.16), 50.1°(0.38), 54.5°(0.44), 63.3°(0.31), 65.2°(0.32), 72.6°(0.14), 76.9°(0.1), 86.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-46371 | 5.41 5.41 5.41
54 54 54
Zn 0.367 0.367 0.367
Zn 0.633 0.633 0.633
Fe 0.160 0.160 0.160
Fe 0.840 0.840 0.840
O 0.048 0.786 0.438
O 0.562 0.952 0.214
O 0.214 0.562 0.952
O 0.786 0.438 0.048
O 0.438 0.048 0.786
O 0.952 0.214 0.562 |
Below is a description of a material. | The chemical formula is: Ba4HgSe.
The XRD pattern shows main peaks at: 15.5°(0.08), 17.9°(0.06), 25.4°(0.28), 29.8°(1.0), 31.2°(0.43), 44.7°(0.13), 47.6°(0.4), 52.1°(0.34), 58.8°(0.06), 61.2°(0.14), 62.0°(0.18), 71.0°(0.06), 73.2°(0.25), 76.8°(0.06), 84.5°(0.08).
Generate atomic structure description with lattice lengt... | JVASP-64170 | 7.02 7.02 7.02
60 60 60
Ba 0.121 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.121 0.626
Ba 0.626 0.626 0.121
Hg 0.250 0.250 0.250
Se 0.000 0.000 0.000 |
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