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: Sc2NiPt.
The XRD pattern shows main peaks at: 23.9°(0.31), 27.6°(0.32), 39.4°(1.0), 46.6°(0.19), 48.8°(0.1), 57.0°(0.18), 62.7°(0.08), 64.5°(0.13), 71.5°(0.34), 76.6°(0.06), 84.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41876 | 4.57 4.57 4.57
60 60 60
Sc 0.000 0.000 0.000
Sc 0.500 0.500 0.500
Ni 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Nd3In.
The XRD pattern shows main peaks at: 29.0°(0.23), 32.0°(0.25), 33.2°(1.0), 43.7°(0.15), 51.4°(0.17), 57.8°(0.2), 61.8°(0.21), 62.5°(0.14), 81.0°(0.07), 89.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110017 | 7.12 7.12 5.59
90 90 120
Nd 0.825 0.175 0.750
Nd 0.350 0.175 0.750
Nd 0.825 0.650 0.750
Nd 0.175 0.825 0.250
Nd 0.650 0.825 0.250
Nd 0.175 0.350 0.250
In 0.667 0.333 0.250
In 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: V2RuC.
The XRD pattern shows main peaks at: 13.6°(0.26), 27.5°(0.06), 36.6°(0.42), 40.9°(1.0), 41.7°(0.3), 43.3°(0.58), 52.7°(0.26), 60.5°(0.08), 65.3°(0.27), 73.9°(0.14), 78.9°(0.09), 80.0°(0.12), 80.5°(0.23), 81.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-187672 | 2.86 2.86 6.70
77 77 60
Ru 0.500 0.500 0.500
C 0.000 0.000 -0.000
V 0.726 0.726 0.822
V 0.274 0.274 0.178 |
Below is a description of a material. | The chemical formula is: CeNiGe.
The XRD pattern shows main peaks at: 24.5°(0.12), 34.1°(1.0), 43.2°(0.45), 47.6°(0.12), 56.1°(0.23), 66.2°(0.25), 73.3°(0.18), 79.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-151811 | 4.20 7.64 7.25
90 90 90
Ce 0.250 1.000 0.750
Ce 0.750 0.500 0.250
Ce 0.750 0.000 0.250
Ce 0.250 0.500 0.750
Ni 0.250 0.250 0.417
Ni 0.750 0.250 0.917
Ni 0.750 0.750 0.583
Ni 0.250 0.750 0.083
Ge 0.250 0.750 0.416
Ge 0.750 0.750 0.916
Ge 0.750 0.250 0.584
Ge 0.250 0.250 0.084 |
Below is a description of a material. | The chemical formula is: LiMoN2.
The XRD pattern shows main peaks at: 16.7°(1.0), 33.8°(0.11), 36.1°(0.35), 37.5°(0.33), 42.5°(0.29), 46.0°(0.27), 54.4°(0.17), 59.2°(0.11), 64.1°(0.13), 66.8°(0.12), 69.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105943 | 5.57 5.57 5.57
30 30 30
Li 0.413 0.413 0.413
Mo 0.586 0.586 0.586
N 0.842 0.842 0.842
N 0.997 0.997 0.997 |
Below is a description of a material. | The chemical formula is: NiH2O2.
The XRD pattern shows main peaks at: 20.2°(1.0), 32.3°(0.38), 38.4°(0.97), 53.3°(0.47), 57.7°(0.29), 61.8°(0.24), 71.5°(0.12), 73.1°(0.11), 82.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29784 | 3.20 3.19 4.39
90 90 119
Ni -0.000 0.937 0.000
H 0.667 0.270 0.560
H 0.333 0.603 0.440
O 0.667 0.270 0.785
O 0.333 0.603 0.215 |
Below is a description of a material. | The chemical formula is: Ba.
The XRD pattern shows main peaks at: 23.1°(0.39), 24.7°(1.0), 34.1°(0.87), 43.5°(0.22), 47.2°(0.05), 49.8°(0.28), 50.7°(0.14), 54.0°(0.22), 56.4°(0.2), 66.2°(0.11), 69.0°(0.1), 71.8°(0.1), 73.8°(0.18), 79.3°(0.07), 87.8°(0.12).
Generate atomic structure description with lattice lengths, ang... | JVASP-80724 | 5.67 5.67 7.21
90 90 94
Ba 0.375 0.125 0.250
Ba 0.625 0.875 0.750
Ba 0.875 0.625 0.250
Ba 0.125 0.375 0.750 |
Below is a description of a material. | The chemical formula is: CdTeO3.
The XRD pattern shows main peaks at: 30.3°(1.0), 43.4°(0.31), 53.9°(0.37), 63.1°(0.18), 71.6°(0.16), 79.7°(0.06), 87.5°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180450 | 4.17 4.17 4.17
90 90 90
Cd 0.000 0.000 0.000
Te 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeNiBr2.
The XRD pattern shows main peaks at: 19.2°(0.14), 27.3°(0.19), 33.6°(0.07), 39.0°(1.0), 48.2°(0.06), 56.2°(0.12), 63.6°(0.06), 70.6°(0.27), 83.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74269 | 4.63 4.63 3.26
90 90 90
Be 0.000 0.000 0.500
Ni 0.500 0.500 0.500
Br 0.500 0.000 0.000
Br 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Nb2CS2.
The XRD pattern shows main peaks at: 10.2°(0.97), 20.4°(0.07), 31.3°(0.27), 33.0°(0.23), 37.6°(1.0), 41.5°(0.1), 44.5°(0.17), 52.9°(0.2), 55.7°(0.23), 56.7°(0.07), 62.5°(0.09), 69.1°(0.15), 71.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-15633 | 3.30 3.30 8.69
90 90 119
Nb 0.667 0.333 0.138
Nb 0.333 0.667 0.862
C 0.000 0.000 0.000
S 0.667 0.333 0.673
S 0.333 0.667 0.327 |
Below is a description of a material. | The chemical formula is: ScVOs2.
The XRD pattern shows main peaks at: 13.9°(0.05), 28.0°(0.22), 28.9°(0.44), 40.7°(1.0), 41.4°(0.48), 50.7°(0.19), 52.3°(0.05), 57.9°(0.07), 59.9°(0.16), 66.0°(0.07), 67.4°(0.08), 67.9°(0.09), 73.6°(0.14), 75.0°(0.32), 88.1°(0.09).
Generate atomic structure description with lattice lengt... | JVASP-192161 | 3.09 3.09 6.37
90 90 90
Sc 0.500 0.500 0.500
Os -0.000 0.000 0.771
Os 0.000 -0.000 0.229
V 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Er2GaIr.
The XRD pattern shows main peaks at: 22.3°(0.09), 36.8°(1.0), 53.0°(0.17), 66.3°(0.36), 78.3°(0.11), 89.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161283 | 4.88 4.88 4.88
60 60 60
Er 0.000 0.000 0.000
Er 0.500 0.500 0.500
Ga 0.250 0.250 0.250
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: KTe.
The XRD pattern shows main peaks at: 18.4°(0.4), 19.8°(0.96), 23.5°(0.22), 28.8°(0.63), 29.3°(0.1), 32.2°(1.0), 34.9°(0.29), 38.1°(0.18), 41.5°(0.4), 43.7°(0.21), 44.1°(0.22), 48.2°(0.11), 50.7°(0.16), 53.5°(0.21), 55.3°(0.2), 57.4°(0.17), 59.1°(0.13), 63.8°(0.24), 67.3°(0.11), 82.3°(0.12)... | JVASP-2166 | 5.56 5.56 12.18
90 90 120
K 0.000 0.000 0.000
K 0.000 0.000 0.500
K 0.333 0.667 0.250
K 0.667 0.333 0.750
Te 0.333 0.667 0.633
Te 0.667 0.333 0.133
Te 0.667 0.333 0.367
Te 0.333 0.667 0.867 |
Below is a description of a material. | The chemical formula is: ScGeIr.
The XRD pattern shows main peaks at: 18.0°(0.75), 23.6°(0.35), 24.5°(0.36), 27.5°(0.33), 28.1°(0.67), 35.1°(0.99), 36.6°(0.2), 37.1°(0.54), 42.1°(0.86), 42.8°(0.33), 43.6°(1.0), 44.5°(0.33), 45.7°(0.2), 50.5°(0.19), 51.0°(0.22), 53.6°(0.27), 63.3°(0.4), 68.9°(0.18), 70.0°(0.31), 78.2°(0... | JVASP-151767 | 4.15 6.49 7.53
90 90 90
Sc 0.250 0.017 0.311
Sc 0.750 0.483 0.811
Sc 0.750 0.983 0.689
Sc 0.250 0.517 0.189
Ge 0.250 0.280 0.620
Ge 0.750 0.220 0.120
Ge 0.750 0.720 0.380
Ge 0.250 0.780 0.880
Ir 0.250 0.165 0.941
Ir 0.750 0.335 0.441
Ir 0.750 0.835 0.059
Ir 0.250 0.665 0.559 |
Below is a description of a material. | The chemical formula is: CdInI.
The XRD pattern shows main peaks at: 27.0°(1.0), 27.6°(0.47), 38.5°(0.38), 39.0°(0.71), 48.0°(0.39), 55.6°(0.13), 62.9°(0.18), 63.2°(0.17), 70.0°(0.25), 89.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134441 | 3.30 3.30 9.70
90 90 90
Cd 0.000 0.000 0.373
In 0.000 0.000 0.050
I 0.000 0.000 0.711 |
Below is a description of a material. | The chemical formula is: Ho3GaC.
The XRD pattern shows main peaks at: 17.0°(0.72), 24.1°(0.08), 29.6°(1.0), 34.3°(0.93), 38.5°(0.42), 49.3°(0.66), 52.5°(0.22), 58.5°(0.42), 61.4°(0.23), 64.2°(0.1), 72.3°(0.1), 74.9°(0.11), 80.0°(0.17), 82.5°(0.29), 85.0°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-15954 | 5.23 5.23 5.23
90 90 90
Ho 0.000 0.500 0.500
Ho 0.500 0.000 0.500
Ho 0.500 0.500 0.000
Ga 0.500 0.500 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CuAu3.
The XRD pattern shows main peaks at: 22.0°(0.11), 31.3°(0.1), 38.6°(1.0), 44.9°(0.44), 50.5°(0.06), 65.3°(0.33), 78.5°(0.39), 82.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20582 | 4.04 4.04 4.04
90 90 90
Cu 0.000 0.000 0.000
Au 0.500 0.500 0.000
Au 0.500 0.000 0.500
Au 0.000 0.500 0.500 |
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: Ba2PrIrO6.
The XRD pattern shows main peaks at: 29.3°(1.0), 42.0°(0.3), 52.0°(0.41), 60.9°(0.19), 69.0°(0.13), 76.7°(0.07), 84.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57438 | 6.09 6.09 8.61
90 90 90
Ba 0.500 0.000 0.250
Ba 0.500 0.000 0.750
Ba 0.000 0.500 0.750
Ba 0.000 0.500 0.250
Pr 0.500 0.500 0.000
Pr 0.000 0.000 0.500
Ir 0.500 0.500 0.500
Ir 0.000 0.000 0.000
O 0.740 0.280 0.500
O 0.260 0.720 0.500
O 0.500 0.500 0.730
O 0.000 0.000 0.230
O 0.280 0.260 0.500
O 0.500 0.500 0.270
O 0.220 ... |
Below is a description of a material. | The chemical formula is: LiScRh2.
The XRD pattern shows main peaks at: 25.0°(0.06), 29.0°(0.52), 41.4°(1.0), 51.3°(0.13), 60.0°(0.16), 68.0°(0.19), 75.6°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193178 | 4.36 4.36 4.36
60 60 60
Sc 0.250 0.250 0.250
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.500
Li 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LaP.
The XRD pattern shows main peaks at: 25.5°(0.79), 29.5°(1.0), 42.3°(0.7), 50.0°(0.39), 52.4°(0.27), 61.3°(0.12), 69.5°(0.33), 77.3°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136907 | 4.28 4.28 4.28
120 90 59
La 0.788 0.233 0.192
P 0.289 0.233 0.691 |
Below is a description of a material. | The chemical formula is: AsPd3.
The XRD pattern shows main peaks at: 32.2°(0.16), 36.8°(0.9), 37.6°(0.25), 38.9°(0.53), 39.7°(0.39), 41.0°(1.0), 44.8°(0.23), 45.6°(0.22), 46.7°(0.35), 48.6°(0.16), 52.0°(0.1), 58.4°(0.08), 64.5°(0.08), 65.9°(0.11), 66.2°(0.15), 69.1°(0.15), 70.2°(0.13), 74.7°(0.08), 77.0°(0.14), 78.2°(0... | JVASP-154602 | 7.58 7.58 7.58
95 95 142
As 0.761 0.434 0.238
As 0.197 0.523 0.762
As 0.566 0.803 0.326
As 0.477 0.239 0.674
Pd 0.312 0.126 0.964
Pd 0.162 0.349 0.036
Pd 0.874 0.838 0.187
Pd 0.651 0.688 0.813
Pd 0.342 0.945 0.333
Pd 0.612 0.009 0.667
Pd 0.055 0.388 0.397
Pd 0.991 0.658 0.603
Pd 0.931 0.537 0.953
Pd 0.584 0.978 0.047
P... |
Below is a description of a material. | The chemical formula is: Ta3Pt.
The XRD pattern shows main peaks at: 37.8°(1.0), 44.0°(0.48), 63.9°(0.33), 76.7°(0.38), 80.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109076 | 4.12 4.12 4.12
90 90 90
Ta 0.000 0.500 0.500
Ta 0.500 0.000 0.500
Ta 0.500 0.500 0.000
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2Cr3NiO8.
The XRD pattern shows main peaks at: 18.8°(0.71), 21.7°(0.35), 30.9°(0.34), 36.4°(1.0), 44.3°(0.36), 58.6°(0.19), 64.5°(0.44).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-43100 | 5.79 5.79 5.79
59 59 59
Li 0.121 0.121 0.121
Li 0.499 0.499 0.499
Cr 0.007 0.498 0.498
Cr 0.498 0.007 0.498
Cr 0.498 0.498 0.007
Ni 0.880 0.880 0.880
O 0.259 0.259 0.259
O 0.250 0.250 0.713
O 0.250 0.713 0.250
O 0.713 0.250 0.250
O 0.284 0.749 0.749
O 0.749 0.284 0.749
O 0.749 0.749 0.284
O 0.742 0.742 0.742 |
Below is a description of a material. | The chemical formula is: TlInGa.
The XRD pattern shows main peaks at: 22.1°(0.2), 25.6°(0.48), 36.5°(1.0), 43.0°(0.1), 45.1°(0.14), 52.5°(0.18), 59.3°(0.2), 65.6°(0.37), 77.5°(0.11), 83.2°(0.09), 88.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161017 | 4.93 4.93 4.93
60 60 60
Tl 0.750 0.750 0.750
In 0.250 0.250 0.250
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li3MnCoO5.
The XRD pattern shows main peaks at: 11.4°(0.15), 12.2°(0.13), 14.4°(0.09), 18.8°(1.0), 23.0°(0.05), 37.1°(0.32), 38.8°(0.06), 44.7°(0.58), 45.1°(0.27), 49.2°(0.07), 58.9°(0.09), 64.4°(0.07), 65.0°(0.14), 65.7°(0.22), 83.3°(0.06).
Generate atomic structure description with lattice le... | JVASP-122402 | 7.62 7.62 8.05
75 75 21
Li 0.390 0.390 0.315
Li 0.611 0.611 0.672
Li 0.796 0.796 0.125
Li 0.000 0.000 0.500
Li 0.204 0.204 0.893
Li 0.206 0.206 0.401
Mn -0.001 -0.001 0.995
Mn 0.602 0.602 0.208
Co 0.798 0.798 0.598
Co 0.399 0.399 0.800
O 0.811 0.811 0.837
O 0.590 0.590 0.958
O 0.801 0.801 0.364
O 0.992 0.992 0.763
O 0.... |
Below is a description of a material. | The chemical formula is: Ba4TlZn.
The XRD pattern shows main peaks at: 15.1°(0.1), 17.5°(0.06), 24.8°(0.25), 29.2°(1.0), 30.5°(0.4), 43.7°(0.11), 46.5°(0.37), 50.9°(0.31), 59.8°(0.13), 60.5°(0.16), 69.3°(0.06), 71.4°(0.23), 82.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-64862 | 7.17 7.17 7.17
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
Tl 0.250 0.250 0.250
Zn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ErAlPt.
The XRD pattern shows main peaks at: 26.5°(0.35), 26.8°(0.53), 28.5°(0.07), 33.6°(0.41), 35.2°(1.0), 37.3°(0.13), 40.6°(0.27), 41.2°(0.44), 42.8°(0.18), 46.2°(0.23), 47.0°(0.07), 48.9°(0.08), 49.6°(0.12), 53.6°(0.19), 56.8°(0.08), 63.6°(0.17), 66.9°(0.08), 69.8°(0.13), 71.3°(0.13), 77.7... | JVASP-151890 | 4.38 6.84 7.74
90 90 90
Er 0.250 0.028 0.318
Er 0.750 0.472 0.818
Er 0.750 0.972 0.682
Er 0.250 0.528 0.182
Al 0.250 0.146 0.935
Al 0.750 0.354 0.435
Al 0.750 0.854 0.065
Al 0.250 0.646 0.565
Pt 0.250 0.271 0.615
Pt 0.750 0.229 0.115
Pt 0.750 0.729 0.385
Pt 0.250 0.771 0.885 |
Below is a description of a material. | The chemical formula is: RbGe2Rh2.
The XRD pattern shows main peaks at: 13.7°(1.0), 27.6°(0.2), 29.7°(0.99), 33.3°(0.83), 41.3°(0.43), 43.2°(0.69), 45.5°(0.19), 52.0°(0.13), 52.5°(0.71), 53.3°(0.4), 57.0°(0.08), 62.7°(0.23), 64.5°(0.06), 69.1°(0.06), 70.9°(0.08), 72.9°(0.16), 74.1°(0.14), 77.9°(0.13), 86.2°(0.31), 86.8... | JVASP-155655 | 7.11 7.11 7.11
145 145 49
Rb 0.000 0.000 0.000
Ge 0.347 0.347 0.000
Ge 0.653 0.653 -0.000
Rh 0.750 0.250 0.500
Rh 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: NdIn5Rh.
The XRD pattern shows main peaks at: 18.9°(0.09), 29.3°(0.3), 30.2°(0.06), 35.3°(0.16), 35.9°(1.0), 38.3°(0.52), 44.9°(0.06), 53.1°(0.19), 55.4°(0.17), 62.8°(0.08), 63.9°(0.07), 67.7°(0.37), 82.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-27028 | 4.69 4.69 7.62
90 90 90
Nd 0.000 0.000 0.000
In 0.500 0.500 0.000
In 0.000 0.500 0.304
In 0.500 0.000 0.304
In 0.000 0.500 0.696
In 0.500 0.000 0.696
Rh 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Nb3AlFe8.
The XRD pattern shows main peaks at: 11.3°(0.08), 31.7°(0.11), 38.0°(0.37), 41.1°(0.85), 44.2°(0.13), 44.8°(1.0), 45.8°(0.84), 46.5°(0.14), 50.3°(0.11), 51.9°(0.09), 73.5°(0.19), 76.7°(0.26), 81.4°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-143816 | 4.73 4.73 7.81
90 90 59
Nb 0.667 0.667 0.442
Nb 0.667 0.667 0.068
Nb 0.333 0.333 0.921
Al 0.333 0.333 0.558
Fe -0.000 0.000 0.501
Fe -0.000 0.000 0.008
Fe 0.831 0.338 0.749
Fe 0.338 0.831 0.749
Fe 0.831 0.831 0.749
Fe 0.170 0.659 0.251
Fe 0.659 0.170 0.251
Fe 0.170 0.170 0.251 |
Below is a description of a material. | The chemical formula is: Li2InPb.
The XRD pattern shows main peaks at: 15.5°(0.1), 18.8°(1.0), 28.7°(0.06), 31.2°(0.3), 31.9°(0.56), 33.6°(0.67), 38.1°(0.19), 39.6°(0.16), 40.7°(0.32), 44.7°(0.21), 54.8°(0.16), 55.8°(0.07), 58.1°(0.09), 59.4°(0.09), 61.2°(0.09), 65.3°(0.07), 66.7°(0.07), 68.1°(0.07), 69.6°(0.07), 70.6°... | JVASP-81135 | 12.11 5.08 8.37
43 19 33
Li 0.750 0.000 -0.000
Li 0.250 -0.000 0.000
In 0.000 0.000 0.000
Pb 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Ca2FeIrO6.
The XRD pattern shows main peaks at: 19.9°(0.28), 20.4°(0.28), 23.3°(0.58), 32.6°(0.24), 33.3°(1.0), 33.8°(0.24), 38.8°(0.13), 39.5°(0.17), 47.6°(0.25), 48.0°(0.15), 52.8°(0.12), 53.8°(0.13), 58.6°(0.17), 59.2°(0.11), 60.1°(0.24), 69.9°(0.06), 74.2°(0.06), 79.4°(0.06).
Generate atomi... | JVASP-21188 | 5.30 5.50 9.25
90 124 90
Ca 0.265 0.060 0.250
Ca 0.735 0.560 0.250
Ca 0.265 0.440 0.750
Ca 0.735 0.940 0.750
Fe 0.000 0.500 0.000
Fe 0.000 0.000 0.500
Ir 0.500 0.500 0.500
Ir 0.500 0.000 0.000
O 0.760 0.208 0.951
O 0.655 0.695 0.953
O 0.240 0.708 0.549
O 0.852 0.976 0.257
O 0.148 0.024 0.743
O 0.240 0.792 0.049
O 0.345... |
Below is a description of a material. | The chemical formula is: CoAgF3.
The XRD pattern shows main peaks at: 31.6°(1.0), 38.9°(0.18), 45.3°(0.37), 56.2°(0.37), 65.9°(0.22), 74.9°(0.14), 79.3°(0.05), 83.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109643 | 4.01 4.01 4.01
90 90 90
Co 0.000 0.000 0.000
Ag 0.500 0.500 0.500
F 0.500 0.000 0.000
F 0.000 0.500 0.000
F 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CaAlAu.
The XRD pattern shows main peaks at: 22.7°(0.27), 24.4°(0.23), 25.9°(1.0), 32.7°(0.19), 33.6°(0.52), 38.8°(0.15), 40.0°(0.29), 42.0°(0.13), 43.9°(0.21), 46.7°(0.08), 47.4°(0.18), 48.1°(0.22), 48.5°(0.13), 53.4°(0.07), 54.2°(0.07), 56.8°(0.1), 60.7°(0.09), 64.6°(0.1), 68.6°(0.07), 72.3°(... | JVASP-63625 | 4.53 7.29 7.78
90 90 90
Ca 0.250 0.015 0.683
Ca 0.750 0.485 0.183
Ca 0.750 0.985 0.317
Ca 0.250 0.515 0.817
Al 0.250 0.157 0.069
Al 0.750 0.343 0.569
Al 0.750 0.843 0.931
Al 0.250 0.657 0.431
Au 0.250 0.291 0.388
Au 0.750 0.209 0.888
Au 0.750 0.709 0.612
Au 0.250 0.791 0.112 |
Below is a description of a material. | The chemical formula is: SmPPd.
The XRD pattern shows main peaks at: 24.4°(0.15), 27.0°(0.16), 33.8°(1.0), 42.9°(0.45), 47.1°(0.11), 55.7°(0.23), 65.6°(0.25), 72.8°(0.21), 78.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16352 | 4.21 4.21 7.72
90 90 119
Sm 0.000 0.000 0.500
Sm 0.000 0.000 0.000
P 0.667 0.333 0.250
P 0.333 0.667 0.750
Pd 0.333 0.667 0.250
Pd 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Bi4Se3.
The XRD pattern shows main peaks at: 19.7°(0.12), 24.2°(0.13), 26.2°(0.06), 28.4°(1.0), 39.3°(0.38), 41.8°(0.38), 46.6°(0.08), 51.3°(0.2), 68.2°(0.16), 76.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149528 | 13.76 13.76 13.76
18 18 18
Bi 0.855 0.855 0.855
Bi 0.145 0.145 0.145
Bi 0.712 0.712 0.712
Bi 0.288 0.288 0.288
Se 0.583 0.583 0.583
Se 0.417 0.417 0.417
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaCuF2.
The XRD pattern shows main peaks at: 17.2°(0.13), 23.3°(0.13), 29.1°(1.0), 33.1°(0.78), 34.8°(0.26), 37.6°(0.07), 42.2°(0.19), 47.6°(0.27), 48.8°(0.41), 56.7°(0.33), 58.9°(0.13), 60.2°(0.19), 65.5°(0.11), 69.5°(0.08), 77.1°(0.07), 78.2°(0.07), 78.9°(0.12), 80.2°(0.08), 89.5°(0.14).
Gene... | JVASP-182435 | 3.82 3.82 5.16
90 90 90
Ba 0.500 0.500 0.549
Cu -0.000 0.000 -0.012
F 0.000 0.000 0.419
F 0.500 0.500 0.054 |
Below is a description of a material. | The chemical formula is: LiTm.
The XRD pattern shows main peaks at: 16.5°(0.9), 31.2°(0.66), 33.3°(0.19), 35.5°(1.0), 46.3°(0.42), 55.6°(0.13), 58.4°(0.2), 60.9°(0.21), 65.1°(0.08), 66.3°(0.17), 67.7°(0.15), 75.1°(0.11), 78.6°(0.13), 87.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-126657 | 3.31 3.31 5.39
90 90 119
Li 0.667 0.333 0.250
Tm 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Rb2Te2Au.
The XRD pattern shows main peaks at: 13.6°(0.47), 16.7°(0.44), 27.4°(0.49), 29.2°(0.49), 31.6°(1.0), 33.8°(0.22), 39.9°(0.21), 42.9°(0.35), 44.0°(0.14), 51.7°(0.06), 53.2°(0.35), 55.9°(0.11), 56.6°(0.09), 63.3°(0.1).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-159986 | 4.19 7.04 7.04
71 107 107
Rb 0.296 0.296 0.296
Rb 0.704 0.704 0.704
Te 0.000 0.769 0.231
Te -0.000 0.231 0.769
Au 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Yb3Si.
The XRD pattern shows main peaks at: 19.0°(0.2), 26.9°(0.18), 33.1°(1.0), 38.5°(0.52), 43.2°(0.11), 47.6°(0.08), 55.5°(0.38), 59.2°(0.06), 66.2°(0.45), 69.6°(0.13), 82.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128379 | 4.68 4.68 4.68
90 90 90
Yb 0.000 0.500 0.500
Yb 0.500 0.000 0.500
Yb 0.500 0.500 0.000
Si 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: FeGe2.
The XRD pattern shows main peaks at: 36.1°(0.1), 38.5°(1.0), 42.2°(0.32), 43.3°(0.1), 47.8°(0.27), 48.7°(0.41), 66.5°(0.22), 74.7°(0.14), 76.5°(0.06), 78.7°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17975 | 4.87 4.87 4.87
105 105 118
Fe 0.250 0.250 -0.000
Fe 0.750 0.750 -0.000
Ge 0.656 0.156 0.813
Ge 0.156 0.344 0.500
Ge 0.844 0.656 0.500
Ge 0.344 0.844 0.187 |
Below is a description of a material. | The chemical formula is: Ta2NiO6.
The XRD pattern shows main peaks at: 19.4°(0.08), 21.1°(0.2), 26.5°(1.0), 33.1°(0.08), 35.0°(0.8), 37.8°(0.25), 43.7°(0.06), 52.5°(0.61), 54.5°(0.15), 61.6°(0.16), 66.5°(0.18), 79.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108298 | 4.76 4.76 9.13
90 90 90
Ta 0.500 0.500 0.169
Ta 0.000 0.000 0.669
Ta 0.500 0.500 0.831
Ta 0.000 0.000 0.331
Ni 0.500 0.500 0.500
Ni 0.000 0.000 0.000
O 0.192 0.808 0.500
O 0.808 0.192 0.500
O 0.308 0.308 0.000
O 0.692 0.692 0.000
O 0.203 0.797 0.173
O 0.797 0.203 0.173
O 0.297 0.297 0.673
O 0.703 0.703 0.673
O 0.797 0.... |
Below is a description of a material. | The chemical formula is: SiTcW.
The XRD pattern shows main peaks at: 24.4°(0.5), 40.1°(1.0), 43.0°(0.66), 50.1°(0.07), 60.2°(0.33), 65.2°(0.06), 70.7°(0.05), 76.8°(0.32), 78.8°(0.11), 81.3°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185350 | 4.21 4.21 2.86
90 90 120
Si 0.333 0.667 0.500
Tc 0.667 0.333 0.500
W -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: PuNiBi.
The XRD pattern shows main peaks at: 23.6°(0.05), 27.3°(0.69), 39.0°(1.0), 48.3°(0.21), 56.4°(0.18), 63.8°(0.27), 70.7°(0.37), 83.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156487 | 4.62 4.62 4.62
60 60 60
Pu 0.750 0.750 0.750
Ni 0.000 0.000 0.000
Bi 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HoNi2P2.
The XRD pattern shows main peaks at: 24.8°(0.45), 32.6°(0.07), 36.9°(0.48), 38.0°(1.0), 38.4°(0.15), 46.8°(0.38), 54.4°(0.16), 61.1°(0.23), 62.1°(0.14), 68.4°(0.12), 69.2°(0.15), 81.0°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-15097 | 3.88 3.88 5.43
110 110 90
Ho 0.000 0.000 0.000
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500
P 0.623 0.623 0.246
P 0.377 0.377 0.754 |
Below is a description of a material. | The chemical formula is: Li2CaSn.
The XRD pattern shows main peaks at: 22.4°(0.42), 25.9°(0.94), 36.9°(1.0), 43.6°(0.27), 45.6°(0.28), 53.2°(0.17), 58.4°(0.13), 60.1°(0.35), 66.5°(0.36), 71.1°(0.1), 78.6°(0.1), 82.9°(0.11), 84.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-191449 | 4.87 4.87 4.87
60 60 60
Ca -0.000 -0.000 0.000
Sn 0.500 0.500 0.500
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ZnCl2.
The XRD pattern shows main peaks at: 18.1°(0.76), 18.7°(1.0), 23.3°(0.33), 27.4°(0.8), 27.8°(0.45), 29.2°(0.72), 30.3°(0.23), 31.2°(0.49), 34.6°(0.35), 38.7°(0.17), 40.5°(0.28), 42.5°(0.19), 46.5°(0.18), 48.3°(0.31), 48.9°(0.66), 53.0°(0.66), 57.4°(0.18), 58.0°(0.35), 74.7°(0.18), 84.6°(... | JVASP-12464 | 6.12 6.42 7.54
90 90 90
Zn 0.374 0.585 0.375
Zn 0.874 0.415 0.625
Zn 0.874 0.915 0.875
Zn 0.374 0.085 0.125
Cl 0.001 0.579 0.875
Cl 0.501 0.421 0.125
Cl 0.501 0.921 0.375
Cl 0.001 0.079 0.625
Cl -0.002 0.077 0.128
Cl 0.498 0.923 0.872
Cl 0.498 0.423 0.628
Cl -0.002 0.577 0.372 |
Below is a description of a material. | The chemical formula is: PrSiRu.
The XRD pattern shows main peaks at: 12.6°(0.32), 24.5°(0.92), 29.8°(0.12), 32.4°(0.94), 33.2°(0.78), 38.6°(0.32), 39.6°(1.0), 42.6°(0.79), 49.8°(0.26), 55.0°(0.36), 56.9°(0.23), 58.8°(0.37), 61.3°(0.15), 61.8°(0.26), 71.6°(0.19), 73.6°(0.22), 74.9°(0.13), 75.3°(0.18), 75.9°(0.32), 87.4... | JVASP-16092 | 4.25 4.25 7.00
90 90 90
Pr 0.000 0.500 0.677
Pr 0.500 0.000 0.323
Si 0.000 0.500 0.173
Si 0.500 0.000 0.827
Ru 0.500 0.500 0.000
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2TlCd.
The XRD pattern shows main peaks at: 22.7°(0.13), 26.3°(1.0), 37.5°(0.81), 46.4°(0.28), 54.1°(0.14), 61.2°(0.36), 67.8°(0.28), 86.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107183 | 4.79 4.79 4.79
60 60 60
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
Tl 0.000 0.000 0.000
Cd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AlH.
The XRD pattern shows main peaks at: 31.6°(1.0), 34.2°(0.31), 47.3°(0.58), 56.2°(0.19), 66.0°(0.11), 67.5°(0.23), 76.4°(0.14), 80.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139255 | 3.27 3.27 2.62
90 90 120
Al 0.000 0.000 0.000
H 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Nd3Al.
The XRD pattern shows main peaks at: 21.9°(0.3), 25.2°(0.09), 29.2°(0.25), 33.1°(0.26), 33.6°(1.0), 38.9°(0.07), 44.7°(0.16), 51.7°(0.19), 59.5°(0.19), 62.8°(0.22), 63.1°(0.15), 69.1°(0.06), 82.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-90835 | 5.41 7.07 7.07
119 90 90
Nd 0.750 0.178 0.355
Nd 0.750 0.178 0.822
Nd 0.750 0.645 0.822
Nd 0.250 0.822 0.645
Nd 0.250 0.822 0.178
Nd 0.250 0.355 0.178
Al 0.750 0.667 0.333
Al 0.250 0.333 0.667 |
Below is a description of a material. | The chemical formula is: Tb2Zn17.
The XRD pattern shows main peaks at: 28.5°(0.26), 33.4°(0.1), 34.7°(0.38), 35.8°(0.24), 40.5°(1.0), 41.2°(0.43), 45.5°(0.26), 59.0°(0.13), 66.1°(0.16), 73.2°(0.17), 74.6°(0.17), 87.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154983 | 6.78 6.78 6.78
82 82 82
Tb 0.666 0.666 0.666
Tb 0.334 0.334 0.334
Zn 0.162 0.646 0.646
Zn 0.354 0.838 0.354
Zn 0.354 0.354 0.838
Zn 0.838 0.354 0.354
Zn -0.000 0.297 0.703
Zn 0.703 0.000 0.297
Zn 0.297 0.703 0.000
Zn 0.000 0.703 0.297
Zn 0.297 -0.000 0.703
Zn 0.703 0.297 -0.000
Zn 0.500 0.000 0.000
Zn 0.000 0.500 0.000... |
Below is a description of a material. | The chemical formula is: TbMn2Si2.
The XRD pattern shows main peaks at: 24.4°(0.47), 32.4°(0.1), 34.7°(0.79), 36.9°(1.0), 46.5°(0.37), 49.9°(0.22), 59.3°(0.4), 63.6°(0.18), 67.9°(0.1), 79.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15619 | 3.91 3.91 5.86
109 109 90
Tb 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Mn 0.750 0.250 0.500
Si 0.621 0.621 0.242
Si 0.379 0.379 0.758 |
Below is a description of a material. | The chemical formula is: TbCu2S2.
The XRD pattern shows main peaks at: 13.9°(0.17), 29.6°(1.0), 38.5°(0.69), 42.5°(0.16), 45.8°(0.46), 55.5°(0.13), 61.4°(0.14), 64.3°(0.29), 79.9°(0.13), 84.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35815 | 3.96 3.96 6.38
89 90 119
Tb 0.000 0.000 0.000
Cu 0.666 0.334 0.672
Cu 0.334 0.666 0.328
S 0.667 0.333 0.269
S 0.333 0.667 0.731 |
Below is a description of a material. | The chemical formula is: NbAl3.
The XRD pattern shows main peaks at: 20.5°(0.19), 25.2°(0.44), 32.8°(0.12), 39.0°(1.0), 41.6°(0.18), 47.0°(0.26), 64.6°(0.21), 68.7°(0.09), 74.2°(0.14), 81.9°(0.21), 83.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11963 | 3.86 3.86 5.13
112 112 90
Nb 0.000 0.000 0.000
Al 0.500 0.500 -0.000
Al 0.250 0.750 0.500
Al 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: SmCd3.
The XRD pattern shows main peaks at: 30.8°(0.25), 35.8°(1.0), 48.2°(0.15), 54.8°(0.19), 64.7°(0.17), 67.4°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37447 | 6.70 6.70 4.98
90 90 120
Sm 0.333 0.667 0.750
Sm 0.667 0.333 0.250
Cd 0.161 0.322 0.250
Cd 0.678 0.839 0.250
Cd 0.161 0.839 0.250
Cd 0.839 0.678 0.750
Cd 0.322 0.161 0.750
Cd 0.839 0.161 0.750 |
Below is a description of a material. | The chemical formula is: ErSnPd.
The XRD pattern shows main peaks at: 32.3°(0.3), 33.8°(1.0), 36.2°(0.07), 39.2°(0.47), 39.6°(0.15), 51.8°(0.06), 52.6°(0.19), 56.8°(0.11), 59.7°(0.06), 64.5°(0.16), 66.5°(0.11), 67.3°(0.11), 70.8°(0.08), 73.6°(0.17).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-151888 | 4.62 7.12 7.93
90 90 90
Er 0.250 0.008 0.294
Er 0.750 0.492 0.794
Er 0.750 0.992 0.706
Er 0.250 0.508 0.206
Sn 0.250 0.196 0.912
Sn 0.750 0.304 0.412
Sn 0.750 0.804 0.088
Sn 0.250 0.696 0.588
Pd 0.250 0.292 0.583
Pd 0.750 0.208 0.083
Pd 0.750 0.708 0.417
Pd 0.250 0.792 0.917 |
Below is a description of a material. | The chemical formula is: Li2TiFe2O5.
The XRD pattern shows main peaks at: 12.1°(0.08), 19.3°(0.42), 22.7°(0.39), 24.2°(0.12), 25.9°(0.06), 30.5°(0.19), 37.0°(0.19), 37.8°(0.2), 41.4°(0.09), 43.1°(1.0), 44.5°(0.48), 61.9°(0.15), 63.4°(0.32), 63.9°(0.24), 79.0°(0.06), 79.8°(0.06), 80.7°(0.06).
Generate atomic structure d... | JVASP-145537 | 5.08 5.03 7.77
84 70 72
Li 0.200 0.000 0.600
Li 0.003 1.000 0.995
Li 0.700 0.500 0.600
Li 0.897 0.500 0.205
Ti 0.100 0.500 0.801
Ti 0.800 0.000 0.399
Fe 0.305 0.500 0.391
Fe 0.491 0.500 0.019
Fe 0.595 0.000 0.809
Fe 0.409 0.000 0.181
O 0.950 0.750 0.600
O 0.047 0.238 0.397
O 0.344 0.738 0.803
O 0.450 0.250 0.600
O 0.12... |
Below is a description of a material. | The chemical formula is: CaCl2.
The XRD pattern shows main peaks at: 19.9°(0.72), 25.9°(0.26), 29.4°(1.0), 31.2°(0.45), 38.2°(0.23), 39.0°(0.76), 40.3°(0.25), 43.8°(0.26), 47.4°(0.37), 48.5°(0.12), 49.5°(0.09), 51.6°(0.16), 52.7°(0.09), 54.7°(0.16), 60.0°(0.08), 61.0°(0.13), 65.0°(0.08), 77.2°(0.15), 79.8°(0.15), 81.6°... | JVASP-22528 | 4.14 6.17 6.49
90 90 90
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Cl 0.500 0.761 0.158
Cl 0.500 0.239 0.842
Cl 0.000 0.739 0.658
Cl 0.000 0.261 0.342 |
Below is a description of a material. | The chemical formula is: CaNd2Te4.
The XRD pattern shows main peaks at: 13.1°(0.1), 22.7°(0.11), 29.7°(1.0), 35.1°(0.61).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13355 | 8.27 8.27 8.27
109 109 108
Ca 0.625 0.375 0.250
Ca 0.875 0.125 0.750
Nd 0.125 0.750 0.875
Nd 0.250 0.625 0.375
Nd 0.375 0.250 0.625
Nd 0.750 0.875 0.125
Te 0.002 0.857 0.503
Te -0.001 0.354 0.497
Te 0.498 0.001 0.855
Te 0.143 0.146 0.145
Te 0.357 0.502 0.003
Te 0.646 0.643 0.645
Te 0.501 0.998 0.355
Te 0.854 0.499 0.99... |
Below is a description of a material. | The chemical formula is: LiMgBr.
The XRD pattern shows main peaks at: 19.8°(1.0), 25.2°(0.51), 32.3°(0.56), 34.6°(0.68), 40.1°(0.15), 43.3°(0.72), 48.0°(0.2), 51.8°(0.07), 56.0°(0.12), 60.5°(0.2), 62.0°(0.12), 63.8°(0.22), 68.0°(0.18), 78.6°(0.12), 84.9°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-115697 | 5.19 5.19 3.53
90 90 120
Li 0.333 0.667 0.000
Mg 0.667 0.333 0.000
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaCrSi2O6.
The XRD pattern shows main peaks at: 14.0°(0.43), 20.3°(0.23), 30.0°(1.0), 30.9°(0.62), 35.5°(0.76), 36.5°(0.43), 41.1°(0.22), 42.9°(0.26), 43.3°(0.13), 44.6°(0.11), 53.4°(0.12), 56.3°(0.18), 57.4°(0.19), 58.3°(0.08), 60.5°(0.11), 61.7°(0.14), 67.4°(0.2), 71.1°(0.1), 75.3°(0.11), 78.... | JVASP-154993 | 6.50 6.50 5.30
77 77 84
Na 0.300 0.700 0.750
Na 0.700 0.300 0.250
Cr 0.908 0.092 0.750
Cr 0.092 0.908 0.250
Si 0.799 0.615 0.734
Si 0.385 0.201 0.766
Si 0.615 0.799 0.234
Si 0.201 0.385 0.266
O 0.621 0.100 0.693
O 0.806 0.967 0.137
O 0.379 0.900 0.307
O 0.100 0.621 0.193
O 0.365 0.343 0.992
O 0.657 0.635 0.508
O 0.635 ... |
Below is a description of a material. | The chemical formula is: Zr2TiPb3O9.
The XRD pattern shows main peaks at: 21.0°(0.26), 21.7°(0.36), 30.3°(1.0), 30.5°(1.0), 30.9°(0.94), 37.7°(0.23), 42.8°(0.23), 44.3°(0.5), 48.3°(0.11), 53.7°(0.2), 54.5°(0.27), 62.9°(0.11), 63.6°(0.14), 64.4°(0.07), 70.9°(0.09).
Generate atomic structure description with lattice leng... | JVASP-112615 | 9.15 9.15 4.23
89 89 143
Zr 0.355 0.687 0.030
Zr 0.687 0.355 0.030
Ti 0.018 0.018 0.051
Pb 0.206 0.890 0.585
Pb 0.536 0.536 0.594
Pb 0.890 0.206 0.585
O 0.329 0.170 0.972
O 0.691 0.850 0.972
O 0.999 0.487 0.979
O 0.487 0.999 0.979
O 0.850 0.691 0.972
O 0.170 0.329 0.972
O 0.652 0.333 0.506
O 0.009 0.009 0.476
O 0.333 0... |
Below is a description of a material. | The chemical formula is: Dy.
The XRD pattern shows main peaks at: 31.3°(1.0), 36.3°(0.5), 52.3°(0.36), 62.2°(0.4), 65.3°(0.12), 77.1°(0.06), 85.6°(0.17), 88.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16332 | 3.50 6.06 6.06
109 90 90
Dy 0.000 0.250 0.750
Dy 0.000 0.750 0.250
Dy 0.500 0.250 0.250
Dy 0.500 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CaBeGa.
The XRD pattern shows main peaks at: 16.5°(0.26), 28.8°(0.77), 33.4°(0.25), 37.5°(1.0), 39.3°(0.5), 42.9°(0.1), 51.1°(0.11), 52.6°(0.25), 56.8°(0.16), 65.0°(0.13), 66.3°(0.09), 67.6°(0.27), 70.1°(0.3), 79.9°(0.09), 84.6°(0.05).
Generate atomic structure description with lattice lengths,... | JVASP-67011 | 5.83 5.83 5.83
147 147 46
Ca 0.337 0.337 0.000
Be 0.031 0.031 0.000
Ga 0.632 0.632 -0.000 |
Below is a description of a material. | The chemical formula is: BaHgS2.
The XRD pattern shows main peaks at: 17.1°(0.08), 20.9°(0.07), 24.5°(0.22), 24.9°(0.34), 27.1°(1.0), 30.5°(0.4), 34.6°(0.12), 37.2°(0.09), 39.5°(0.14), 42.9°(0.24), 46.5°(0.09), 49.7°(0.15), 53.2°(0.18), 56.0°(0.06), 68.4°(0.08).
Generate atomic structure description with lattice length... | JVASP-24650 | 4.25 7.40 14.51
90 90 90
Ba 0.000 0.006 0.898
Ba 0.000 0.681 0.609
Ba 0.000 0.506 0.102
Ba 0.000 0.181 0.391
Hg 0.500 0.663 0.353
Hg 0.500 0.163 0.647
Hg 0.500 0.004 0.143
Hg 0.500 0.504 0.857
S 0.500 0.390 0.530
S 0.500 0.890 0.470
S 0.000 0.887 0.225
S 0.000 0.387 0.775
S 0.500 0.395 0.262
S 0.500 0.731 0.984
S 0.500... |
Below is a description of a material. | The chemical formula is: GaMo4S8.
The XRD pattern shows main peaks at: 15.6°(0.85), 18.1°(0.46), 25.7°(0.14), 30.2°(1.0), 36.7°(0.81), 40.1°(0.38), 45.3°(0.51), 48.2°(0.89), 52.8°(0.81), 66.0°(0.06), 83.7°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154074 | 6.93 6.93 6.93
60 60 60
Ga 0.001 0.001 0.001
Mo 0.399 0.399 0.399
Mo 0.399 0.399 0.808
Mo 0.808 0.399 0.399
Mo 0.399 0.808 0.399
S 0.635 0.635 0.635
S 0.137 0.137 0.137
S 0.635 0.635 0.099
S 0.099 0.635 0.635
S 0.635 0.099 0.635
S 0.137 0.137 0.594
S 0.594 0.137 0.137
S 0.137 0.594 0.137 |
Below is a description of a material. | The chemical formula is: DyAl4Ni.
The XRD pattern shows main peaks at: 11.5°(0.19), 17.7°(0.78), 22.7°(0.44), 27.0°(0.45), 28.1°(0.21), 31.2°(0.88), 35.5°(1.0), 36.7°(0.42), 37.6°(0.53), 39.2°(0.68), 42.7°(0.17), 44.7°(0.56), 50.4°(0.3), 53.0°(0.13), 55.6°(0.15), 58.6°(0.22), 59.8°(0.29), 63.5°(0.17), 65.7°(0.19), 73.9... | JVASP-151128 | 7.95 7.95 6.61
90 90 150
Dy 0.117 0.883 0.750
Dy 0.883 0.117 0.250
Al 0.500 0.500 0.000
Al 0.500 0.500 0.500
Al 0.924 0.076 0.750
Al 0.076 0.924 0.250
Al 0.311 0.689 0.948
Al 0.689 0.311 0.448
Al 0.311 0.689 0.552
Al 0.689 0.311 0.052
Ni 0.774 0.226 0.750
Ni 0.226 0.774 0.250 |
Below is a description of a material. | The chemical formula is: Li3Ti4O8.
The XRD pattern shows main peaks at: 25.4°(0.88), 25.6°(0.86), 36.4°(1.0), 40.8°(0.3), 52.2°(0.62), 52.5°(0.62), 59.1°(0.1), 65.6°(0.35), 71.5°(0.11), 76.9°(0.1), 88.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85921 | 4.92 4.96 5.70
90 90 90
Li 0.000 0.500 0.016
Li 0.500 0.000 0.769
Li 0.500 0.000 0.262
Ti 0.500 0.500 0.755
Ti 0.000 0.000 0.516
Ti 0.500 0.500 0.276
Ti 0.000 0.000 0.016
O 0.185 0.230 0.773
O 0.185 0.230 0.259
O 0.682 0.264 0.016
O 0.815 0.770 0.773
O 0.815 0.770 0.259
O 0.671 0.251 0.516
O 0.329 0.749 0.516
O 0.318 0... |
Below is a description of a material. | The chemical formula is: TlH.
The XRD pattern shows main peaks at: 25.8°(0.42), 28.8°(1.0), 39.1°(0.84), 51.0°(0.21), 53.1°(0.06), 58.0°(0.27), 59.6°(0.13), 61.5°(0.24), 66.1°(0.19), 76.7°(0.13), 82.3°(0.1), 83.9°(0.1), 88.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-127246 | 3.58 3.58 3.45
90 90 120
Tl 0.667 0.333 0.750
H 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: SbPtS.
The XRD pattern shows main peaks at: 19.9°(0.09), 24.5°(0.61), 28.3°(0.63), 31.8°(0.47), 34.9°(0.26), 40.5°(0.49), 47.9°(1.0), 50.2°(0.22), 52.4°(0.09), 54.5°(0.14), 64.5°(0.15), 66.4°(0.21), 68.3°(0.08), 73.7°(0.17), 77.3°(0.05), 79.0°(0.32), 82.5°(0.1), 87.7°(0.17).
Generate atomic str... | JVASP-152415 | 6.30 6.30 6.30
90 90 90
Sb 0.622 0.622 0.622
Sb 0.878 0.378 0.122
Sb 0.378 0.122 0.878
Sb 0.122 0.878 0.378
Pt 0.992 0.992 0.992
Pt 0.508 0.008 0.492
Pt 0.008 0.492 0.508
Pt 0.492 0.508 0.008
S 0.387 0.387 0.387
S 0.113 0.613 0.887
S 0.613 0.887 0.113
S 0.887 0.113 0.613 |
Below is a description of a material. | The chemical formula is: Ga4Bi3As.
The XRD pattern shows main peaks at: 6.1°(0.07), 24.6°(1.0), 28.4°(0.15), 40.7°(0.38), 48.1°(0.39), 64.8°(0.11), 74.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104743 | 14.75 14.75 14.75
17 17 17
Ga 0.057 0.057 0.057
Ga 0.811 0.811 0.811
Ga 0.564 0.564 0.564
Ga 0.318 0.318 0.318
Bi 0.747 0.747 0.747
Bi 0.500 0.500 0.500
Bi 0.253 0.253 0.253
As -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Na2MgSiO4.
The XRD pattern shows main peaks at: 20.4°(0.26), 21.0°(0.3), 30.2°(0.74), 32.3°(0.59), 33.9°(0.87), 34.7°(1.0), 36.6°(0.21), 46.0°(0.25), 47.5°(0.16), 52.1°(0.25), 56.3°(0.4), 61.1°(0.37), 62.4°(0.14), 63.5°(0.08), 65.4°(0.12), 67.4°(0.27), 70.3°(0.1), 87.1°(0.06).
Generate atomic s... | JVASP-9790 | 5.29 5.54 8.78
90 126 90
Na 0.738 0.330 0.250
Na 0.486 0.183 0.494
Na 0.738 0.670 0.750
Na 0.486 0.817 0.994
Mg 0.001 0.185 0.000
Mg 0.001 0.815 0.500
Si 0.253 0.314 0.748
Si 0.253 0.686 0.248
O 0.304 0.790 0.441
O 0.304 0.210 0.941
O 0.980 0.844 0.056
O 0.980 0.156 0.556
O 0.590 0.289 0.777
O 0.148 0.602 0.718
O 0.148... |
Below is a description of a material. | The chemical formula is: LiB.
The XRD pattern shows main peaks at: 21.4°(1.0), 43.6°(0.23), 44.8°(0.12), 47.4°(0.05), 60.4°(0.07), 77.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17437 | 3.07 5.65 6.12
90 90 90
Li 0.250 0.249 0.250
Li 0.750 0.751 0.750
Li 0.750 0.749 0.250
Li 0.250 0.251 0.750
B 0.250 0.527 0.500
B 0.750 0.473 0.500
B 0.750 0.027 0.000
B 0.250 0.973 1.000 |
Below is a description of a material. | The chemical formula is: LiSc2In.
The XRD pattern shows main peaks at: 22.0°(0.63), 36.4°(1.0), 42.9°(0.32), 52.4°(0.17), 57.5°(0.12), 65.5°(0.31), 77.3°(0.1), 88.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187887 | 4.94 4.94 4.94
60 59 59
Sc 1.000 0.000 0.000
Sc 0.500 0.500 0.500
Li 0.750 0.750 0.750
In 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HfH2.
The XRD pattern shows main peaks at: 28.7°(0.79), 29.6°(0.72), 31.3°(1.0), 41.7°(0.58), 43.0°(0.94), 53.7°(0.15), 56.8°(0.11), 59.5°(0.11), 61.4°(0.09), 61.8°(0.2), 64.8°(0.15), 67.8°(0.13), 68.8°(0.25), 69.2°(0.13), 73.0°(0.12), 84.2°(0.09), 86.8°(0.08).
Generate atomic structure descrip... | JVASP-136763 | 3.42 3.11 3.24
90 118 90
Hf 0.467 0.000 0.133
H -0.185 0.000 -0.194
H 0.118 0.000 0.460 |
Below is a description of a material. | The chemical formula is: CrIrO4.
The XRD pattern shows main peaks at: 19.8°(0.71), 28.1°(1.0), 29.1°(0.14), 35.4°(0.95), 40.2°(0.26), 40.9°(0.27), 45.2°(0.14), 50.4°(0.14), 54.6°(0.62), 58.1°(0.1), 60.3°(0.09), 64.1°(0.07), 65.8°(0.12), 67.8°(0.17), 70.0°(0.2), 73.6°(0.06), 74.9°(0.09), 84.0°(0.08), 88.6°(0.07).
Genera... | JVASP-106179 | 4.49 4.49 3.07
90 90 90
Cr 0.000 0.000 0.500
Ir 0.500 0.500 0.000
O 0.811 0.811 0.000
O 0.700 0.300 0.500
O 0.189 0.189 0.000
O 0.300 0.700 0.500 |
Below is a description of a material. | The chemical formula is: LuSiPt.
The XRD pattern shows main peaks at: 27.5°(0.52), 34.7°(0.35), 35.8°(1.0), 38.7°(0.1), 41.4°(0.18), 42.3°(0.42), 42.6°(0.29), 46.8°(0.07), 51.4°(0.08), 53.5°(0.06), 56.8°(0.17), 58.9°(0.06), 60.9°(0.11), 64.2°(0.06), 68.9°(0.19), 70.5°(0.06), 73.6°(0.11), 77.7°(0.15), 80.1°(0.07).
Gener... | JVASP-148100 | 4.24 6.85 7.43
90 90 90
Lu 0.250 0.997 0.799
Lu 0.250 0.497 0.701
Lu 0.750 0.003 0.201
Lu 0.750 0.503 0.299
Si 0.250 0.811 0.410
Si 0.250 0.311 0.090
Si 0.750 0.189 0.590
Si 0.750 0.689 0.910
Pt 0.250 0.203 0.415
Pt 0.250 0.703 0.085
Pt 0.750 0.797 0.585
Pt 0.750 0.297 0.915 |
Below is a description of a material. | The chemical formula is: V2TcGe.
The XRD pattern shows main peaks at: 25.6°(0.11), 42.4°(1.0), 50.1°(0.06), 61.5°(0.15), 77.5°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179438 | 4.27 4.27 4.27
60 60 60
V -0.000 0.000 0.000
V 0.250 0.250 0.250
Tc 0.500 0.500 0.500
Ge 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YbDy8.
The XRD pattern shows main peaks at: 29.3°(0.42), 29.9°(0.14), 32.3°(1.0), 34.0°(0.93), 51.6°(0.39), 62.2°(0.16), 63.2°(0.16), 84.9°(0.13), 85.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-131792 | 3.54 3.54 25.63
90 90 119
Yb 0.000 0.000 0.000
Dy 0.000 0.000 0.225
Dy 0.667 0.333 0.117
Dy 0.667 0.333 0.335
Dy 0.667 0.333 0.555
Dy 0.333 0.667 0.445
Dy 0.333 0.667 0.665
Dy 0.333 0.667 0.883
Dy 0.000 0.000 0.775 |
Below is a description of a material. | The chemical formula is: LiMnO2.
The XRD pattern shows main peaks at: 12.1°(1.0), 23.4°(0.13), 29.2°(0.21), 34.1°(0.21), 38.8°(0.07), 42.4°(0.28), 46.1°(0.12), 47.8°(0.05), 53.1°(0.06), 58.6°(0.07), 63.7°(0.05), 64.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149635 | 7.71 7.71 7.71
150 156 38
Li 0.890 0.890 0.500
Li 0.110 0.110 0.500
Mn 0.686 0.686 0.500
Mn 0.314 0.314 0.500
O 0.300 0.800 -0.000
O 0.700 0.200 0.000
O 0.890 0.390 0.000
O 0.110 0.610 -0.000 |
Below is a description of a material. | The chemical formula is: Y2NiHgC.
The XRD pattern shows main peaks at: 17.6°(0.19), 25.0°(0.05), 29.8°(0.17), 34.8°(1.0), 35.7°(0.53), 40.1°(0.06), 47.2°(0.09), 48.8°(0.11), 51.4°(0.17), 61.9°(0.21), 63.6°(0.33), 73.5°(0.12), 75.6°(0.06), 82.0°(0.08), 86.0°(0.08), 86.5°(0.08).
Generate atomic structure description with... | JVASP-192722 | 5.03 5.03 3.73
90 90 90
Y -0.000 0.500 0.000
Y 0.500 0.000 -0.000
Ni 0.000 0.000 0.500
C 0.000 0.000 -0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CuPtO2.
The XRD pattern shows main peaks at: 20.7°(0.16), 26.8°(0.18), 34.1°(1.0), 40.0°(0.07), 42.2°(0.21), 50.7°(0.07), 55.1°(0.27), 60.7°(0.19), 61.2°(0.11), 71.9°(0.25), 86.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36839 | 4.28 4.29 5.30
90 90 90
Cu 0.000 0.500 0.000
Cu 0.000 0.000 0.500
Pt 0.500 0.500 0.500
Pt 0.500 0.000 0.000
O 0.240 0.750 0.250
O 0.240 0.750 0.750
O 0.760 0.250 0.250
O 0.760 0.250 0.750 |
Below is a description of a material. | The chemical formula is: CaGe2O5.
The XRD pattern shows main peaks at: 17.7°(0.17), 19.1°(0.14), 27.4°(0.49), 28.4°(0.73), 29.5°(0.97), 33.5°(0.66), 33.8°(1.0), 35.3°(0.28), 37.0°(0.18), 38.4°(0.18), 44.4°(0.21), 53.0°(0.17), 53.8°(0.2), 54.7°(0.19), 55.4°(0.22), 57.0°(0.18), 57.8°(0.12), 59.8°(0.13), 61.0°(0.19), 66.6... | JVASP-165306 | 5.45 5.62 6.94
105 101 107
Ca 0.655 0.310 0.277
Ca 0.341 0.676 0.725
Ge 0.309 0.672 0.240
Ge 0.998 0.993 0.501
Ge 0.687 0.314 0.762
Ge 0.998 0.993 0.001
O 0.928 0.067 0.257
O 0.381 0.226 0.560
O 0.068 0.919 0.745
O 0.615 0.760 0.442
O 0.298 0.876 0.085
O 0.698 0.110 0.916
O 0.266 0.348 0.081
O 0.928 0.313 0.621
O 0.068... |
Below is a description of a material. | The chemical formula is: YSiRu2.
The XRD pattern shows main peaks at: 12.1°(0.22), 24.4°(0.05), 32.1°(0.14), 37.0°(0.05), 38.7°(1.0), 42.3°(0.43), 48.1°(0.05), 50.1°(0.09), 57.5°(0.05), 61.4°(0.14), 67.6°(0.14), 75.0°(0.28), 83.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-185077 | 3.02 3.02 7.29
90 90 90
Y 0.500 0.500 0.629
Si 0.000 -0.000 0.932
Ru 0.000 -0.000 0.341
Ru 0.500 0.500 0.108 |
Below is a description of a material. | The chemical formula is: RbBi.
The XRD pattern shows main peaks at: 14.4°(0.22), 27.2°(0.34), 29.1°(0.25), 30.9°(1.0), 40.2°(0.23), 48.1°(0.2), 50.5°(0.06), 52.7°(0.25), 57.2°(0.25), 58.3°(0.18), 64.5°(0.07), 74.1°(0.09), 78.9°(0.16), 80.6°(0.09), 84.1°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-126808 | 3.78 3.78 6.15
90 90 120
Rb 0.667 0.333 0.750
Bi 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: PbI.
The XRD pattern shows main peaks at: 17.3°(0.08), 24.1°(0.06), 26.2°(0.6), 29.8°(0.98), 31.6°(1.0), 35.1°(0.33), 43.7°(0.27), 44.4°(0.3), 47.4°(0.21), 49.3°(0.12), 57.2°(0.53), 59.8°(0.13), 60.5°(0.14), 60.8°(0.16), 62.0°(0.11), 70.8°(0.17).
Generate atomic structure description with latti... | JVASP-136809 | 4.16 6.59 3.82
106 62 129
Pb 0.931 0.466 0.782
I 0.886 0.966 0.054 |
Below is a description of a material. | The chemical formula is: Cd.
The XRD pattern shows main peaks at: 31.2°(0.37), 34.3°(0.21), 37.8°(1.0), 47.0°(0.16), 60.0°(0.23), 61.4°(0.15), 70.5°(0.19), 74.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-849 | 3.02 3.02 5.73
90 90 120
Cd 0.333 0.667 0.250
Cd 0.667 0.333 0.750 |
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: Tc3Si.
The XRD pattern shows main peaks at: 21.3°(0.06), 26.5°(0.14), 41.0°(1.0), 43.4°(0.21), 49.7°(0.29), 68.1°(0.22), 72.9°(0.09), 78.0°(0.14), 87.2°(0.23), 88.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185625 | 3.67 3.67 4.91
111 111 90
Tc 0.250 0.750 0.500
Tc 0.750 0.250 0.500
Tc 0.500 0.500 -0.000
Si 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaIrPt2.
The XRD pattern shows main peaks at: 35.9°(1.0), 41.1°(0.33), 43.0°(0.14), 59.5°(0.11), 60.9°(0.21), 71.5°(0.26), 74.1°(0.12), 76.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65668 | 4.40 4.40 4.21
90 90 90
Ba 0.000 0.000 0.500
Ir 0.500 0.500 0.500
Pt 0.000 0.500 0.000
Pt 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: DyFe10Si2.
The XRD pattern shows main peaks at: 21.7°(0.14), 30.7°(0.21), 34.1°(0.13), 37.7°(0.47), 38.2°(0.14), 43.7°(1.0), 44.2°(0.75), 46.4°(0.1), 49.0°(0.07), 49.6°(0.17), 65.6°(0.06), 68.8°(0.06), 80.3°(0.1), 80.7°(0.09), 81.7°(0.07).
Generate atomic structure description with lattice leng... | JVASP-172750 | 4.71 6.33 6.33
98 111 68
Dy -0.000 0.000 -0.000
Fe 0.638 0.362 0.638
Fe 0.362 0.638 0.362
Fe 0.000 0.355 0.355
Fe 0.000 0.645 0.645
Fe 0.500 0.788 0.788
Fe 0.500 0.212 0.212
Fe 0.500 0.000 0.500
Fe -0.000 0.000 0.500
Fe 0.500 0.500 -0.000
Fe -0.000 0.500 -0.000
Si 0.736 0.764 0.236
Si 0.264 0.236 0.764 |
Below is a description of a material. | The chemical formula is: Nd2CuSi3Rh2.
The XRD pattern shows main peaks at: 10.3°(0.11), 22.1°(0.06), 24.0°(0.16), 26.6°(0.06), 31.2°(0.14), 33.9°(0.26), 34.5°(1.0), 38.3°(0.13), 40.6°(0.09), 43.9°(0.3), 47.7°(0.09), 52.8°(0.06), 54.9°(0.09), 56.7°(0.12), 57.7°(0.06), 59.6°(0.07), 63.9°(0.12), 66.8°(0.07), 71.1°(0.05), ... | JVASP-103690 | 8.84 8.84 4.12
90 90 152
Nd 0.897 0.103 0.000
Nd 0.103 0.897 0.500
Cu 0.534 0.466 0.000
Si 0.467 0.533 0.500
Si 0.675 0.325 0.000
Si 0.324 0.676 0.500
Rh 0.250 0.750 0.000
Rh 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: LiPm2Pt.
The XRD pattern shows main peaks at: 21.4°(0.34), 35.3°(1.0), 41.7°(0.18), 50.8°(0.18), 55.7°(0.08), 63.4°(0.37), 67.7°(0.06), 74.7°(0.11), 78.8°(0.05), 85.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42075 | 5.08 5.08 5.08
60 60 60
Li 0.250 0.250 0.250
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: GaO2.
The XRD pattern shows main peaks at: 27.7°(1.0), 27.9°(0.94), 34.1°(0.52), 35.3°(0.32), 35.7°(0.31), 37.6°(0.39), 39.1°(0.44), 41.8°(0.1), 51.2°(0.17), 52.0°(0.35), 52.6°(0.26), 55.5°(0.13), 57.2°(0.17), 57.8°(0.15), 59.5°(0.33), 61.9°(0.1), 62.4°(0.21), 66.2°(0.21), 66.9°(0.15), 68.2°(0.... | JVASP-136679 | 3.01 3.67 3.44
75 70 60
Ga 0.017 -0.071 0.009
O 0.683 0.526 0.116
O 0.646 0.035 0.606 |
Below is a description of a material. | The chemical formula is: SmGa5Co.
The XRD pattern shows main peaks at: 20.9°(0.22), 32.5°(0.54), 33.4°(0.13), 39.1°(0.22), 39.7°(1.0), 42.5°(0.6), 55.1°(0.06), 59.1°(0.25), 61.7°(0.2), 70.2°(0.06), 71.5°(0.1), 75.9°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17575 | 4.25 4.25 6.91
90 90 90
Sm 0.000 0.000 0.000
Ga 0.500 0.500 0.000
Ga 0.000 0.500 0.314
Ga 0.500 0.000 0.314
Ga 0.000 0.500 0.686
Ga 0.500 0.000 0.686
Co 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: CrS3.
The XRD pattern shows main peaks at: 17.5°(1.0), 18.0°(0.43), 30.1°(0.46), 31.1°(0.29), 35.3°(0.06), 37.1°(0.53), 45.4°(0.3), 46.9°(0.09), 48.6°(0.17), 49.5°(0.22), 54.1°(0.14), 56.0°(0.11), 58.0°(0.2), 59.0°(0.09), 67.4°(0.07).
Generate atomic structure description with lattice lengths, ... | JVASP-179319 | 5.74 2.78 5.93
89 120 89
Cr 0.709 0.523 0.697
S 0.036 0.022 0.970
S 0.381 0.024 0.642
S 0.710 0.525 0.349 |
Below is a description of a material. | The chemical formula is: PmV.
The XRD pattern shows main peaks at: 25.3°(0.3), 36.1°(1.0), 44.6°(0.09), 51.9°(0.16), 58.6°(0.12), 64.9°(0.34), 76.5°(0.1), 82.1°(0.06), 87.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122968 | 3.52 3.52 3.52
90 90 90
Pm 0.000 0.000 0.000
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li3Pb.
The XRD pattern shows main peaks at: 23.2°(1.0), 26.9°(0.5), 38.4°(0.48), 45.3°(0.52), 47.5°(0.14), 55.4°(0.09), 60.8°(0.21), 62.6°(0.21), 69.4°(0.18), 74.3°(0.15), 82.2°(0.06), 86.8°(0.17), 88.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-18737 | 4.69 4.69 4.69
120 120 89
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Li 0.500 0.500 0.000
Pb 0.000 0.000 0.000 |
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