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: Ba3Ca.
The XRD pattern shows main peaks at: 14.7°(0.11), 20.8°(0.11), 25.6°(1.0), 29.6°(0.56), 33.2°(0.07), 42.4°(0.37), 50.1°(0.49), 52.5°(0.14), 61.4°(0.06), 67.7°(0.19), 69.7°(0.18), 77.5°(0.13), 83.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-173604 | 6.04 6.04 6.04
90 90 90
Ba -0.000 0.500 0.500
Ba 0.500 0.000 0.500
Ba 0.500 0.500 -0.000
Ca -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Fe2P2O7.
The XRD pattern shows main peaks at: 17.1°(0.09), 17.8°(0.17), 19.9°(0.16), 28.5°(0.45), 29.1°(1.0), 29.6°(0.75), 30.4°(0.96), 34.7°(0.33), 35.8°(0.2), 41.7°(0.2), 43.1°(0.2), 43.9°(0.17), 44.3°(0.16), 49.1°(0.15), 55.0°(0.17), 56.4°(0.19), 57.4°(0.13), 58.0°(0.17), 63.3°(0.18), 67.7°(... | JVASP-151410 | 5.40 5.21 4.59
98 97 103
Fe 0.309 0.743 0.482
Fe 0.690 0.394 0.460
P 0.784 0.853 0.066
P 0.216 0.285 0.875
O 0.627 0.689 0.767
O 0.627 0.004 0.250
O 0.921 0.686 0.250
O 0.001 0.068 0.971
O 0.078 0.451 0.692
O 0.374 0.134 0.691
O 0.373 0.449 0.175 |
Below is a description of a material. | The chemical formula is: HfMgBe2.
The XRD pattern shows main peaks at: 20.7°(1.0), 27.7°(0.37), 29.4°(0.67), 34.9°(0.5), 40.9°(0.7), 42.1°(0.33), 47.3°(0.22), 51.2°(0.27), 55.8°(0.27), 57.3°(0.07), 61.0°(0.1), 61.6°(0.11), 65.7°(0.14), 68.3°(0.12), 69.2°(0.12), 73.6°(0.13), 76.1°(0.23), 77.4°(0.11), 87.3°(0.09), 88.6°(... | JVASP-71223 | 4.29 4.29 3.22
90 90 90
Hf 0.500 0.500 0.500
Mg 0.000 0.000 0.500
Be 0.500 0.000 0.000
Be 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaH2.
The XRD pattern shows main peaks at: 24.4°(1.0), 28.2°(0.53), 40.3°(0.43), 47.7°(0.48), 49.9°(0.14), 58.3°(0.07), 64.1°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135861 | 4.47 6.33 4.48
90 59 45
Ba 0.842 0.018 0.143
H 0.842 0.768 0.643
H 0.842 0.268 0.643 |
Below is a description of a material. | The chemical formula is: Al12Tc.
The XRD pattern shows main peaks at: 16.6°(0.83), 28.9°(0.4), 37.6°(1.0), 41.3°(0.55), 44.8°(0.99), 48.1°(0.17), 72.8°(0.28), 75.3°(0.11), 77.8°(0.36).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22775 | 6.56 6.56 6.56
109 109 109
Al 0.496 0.307 0.189
Al 0.307 0.811 0.119
Al 0.189 0.881 0.693
Al 0.693 0.811 0.504
Al 0.811 0.119 0.307
Al 0.693 0.189 0.881
Al 0.811 0.504 0.693
Al 0.189 0.496 0.307
Al 0.307 0.189 0.496
Al 0.119 0.307 0.811
Al 0.881 0.693 0.189
Al 0.504 0.693 0.811
Tc 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: FeHO2.
The XRD pattern shows main peaks at: 11.9°(1.0), 26.1°(0.32), 33.4°(0.06), 41.0°(0.16), 44.2°(0.07), 47.2°(0.1), 48.0°(0.16), 48.8°(0.1), 62.5°(0.08), 64.3°(0.07), 69.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8627 | 2.46 3.85 7.57
90 99 90
Fe 0.690 0.813 0.379
Fe 0.310 0.313 0.621
H 0.558 0.814 0.116
H 0.442 0.314 0.884
O 0.715 0.313 0.431
O 0.285 0.813 0.569
O 0.083 0.814 0.167
O 0.917 0.314 0.833 |
Below is a description of a material. | The chemical formula is: NaBe2Ir.
The XRD pattern shows main peaks at: 22.2°(0.37), 27.5°(1.0), 35.9°(0.22), 42.6°(0.64), 45.4°(0.1), 51.6°(0.15), 56.9°(0.12), 59.1°(0.11), 59.5°(0.27), 63.9°(0.1), 69.0°(0.17), 71.1°(0.11), 81.9°(0.08), 82.6°(0.05), 86.5°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-69646 | 4.72 4.72 4.72
135 135 64
Na 0.750 0.250 0.500
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Ir 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Na3Cd.
The XRD pattern shows main peaks at: 14.7°(0.33), 21.7°(0.67), 25.6°(0.32), 29.6°(0.22), 32.1°(0.25), 33.8°(1.0), 35.5°(0.05), 41.5°(0.17), 42.9°(0.25), 44.3°(0.14), 52.6°(0.17), 57.5°(0.09), 58.3°(0.18), 63.0°(0.18), 64.0°(0.14).
Generate atomic structure description with lattice length... | JVASP-167667 | 6.96 6.96 5.57
90 90 120
Na 0.173 0.346 0.250
Na 0.654 0.827 0.250
Na 0.173 0.827 0.250
Na 0.827 0.654 0.750
Na 0.346 0.173 0.750
Na 0.827 0.173 0.750
Cd 0.333 0.667 0.750
Cd 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Zn3Sb.
The XRD pattern shows main peaks at: 23.4°(0.07), 36.5°(1.0), 41.1°(0.19), 42.9°(0.31), 61.0°(0.22), 62.4°(0.1), 71.9°(0.14), 74.4°(0.24), 77.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80104 | 5.30 5.30 5.30
133 133 68
Zn 0.750 0.250 0.500
Zn 0.250 0.750 0.500
Zn 0.500 0.500 0.000
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2Nb5O9.
The XRD pattern shows main peaks at: 7.1°(0.09), 22.2°(0.07), 25.5°(0.07), 30.3°(1.0), 30.8°(0.35), 33.3°(0.28), 42.0°(0.16), 42.8°(0.55), 47.7°(0.13), 53.3°(0.41), 62.1°(0.16), 70.7°(0.09), 72.3°(0.05), 81.9°(0.05), 86.3°(0.11).
Generate atomic structure description with lattice leng... | JVASP-23332 | 4.23 4.23 12.38
90 90 90
Ba 0.000 0.000 0.832
Ba 0.000 0.000 0.168
Nb 0.500 0.500 0.000
Nb 0.500 0.500 0.663
Nb 0.500 0.500 0.337
Nb 0.500 0.000 0.500
Nb 0.000 0.500 0.500
O 0.000 0.500 0.000
O 0.500 0.000 0.000
O 0.500 0.500 0.838
O 0.500 0.500 0.162
O 0.000 0.500 0.673
O 0.500 0.000 0.673
O 0.000 0.500 0.327
O 0.000 ... |
Below is a description of a material. | The chemical formula is: HoNiGe.
The XRD pattern shows main peaks at: 23.5°(0.09), 24.7°(0.4), 34.8°(0.52), 35.6°(0.42), 36.2°(1.0), 37.9°(0.2), 41.3°(0.24), 42.1°(0.71), 44.2°(0.54), 53.7°(0.1), 58.0°(0.23), 59.6°(0.12), 60.1°(0.14), 62.1°(0.13), 63.1°(0.09), 68.0°(0.22), 68.9°(0.21), 76.0°(0.11), 77.6°(0.15), 79.8°(0... | JVASP-101715 | 5.46 5.46 6.83
51 51 44
Ho 0.448 0.448 0.812
Ho 0.552 0.552 0.188
Ni 0.167 0.167 0.783
Ni 0.833 0.833 0.217
Ge 0.830 0.830 0.602
Ge 0.170 0.170 0.398 |
Below is a description of a material. | The chemical formula is: Sm3AlC.
The XRD pattern shows main peaks at: 17.7°(0.24), 25.2°(0.15), 31.0°(1.0), 35.9°(0.57), 40.3°(0.12), 44.4°(0.07), 51.7°(0.41), 55.1°(0.06), 61.5°(0.45), 64.5°(0.12), 76.1°(0.06), 84.4°(0.18), 87.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-15757 | 5.00 5.00 5.00
90 90 90
Sm 0.000 0.500 0.500
Sm 0.500 0.000 0.500
Sm 0.500 0.500 0.000
Al 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Tb2Ni3B6.
The XRD pattern shows main peaks at: 23.0°(0.23), 25.4°(0.37), 31.0°(0.52), 32.9°(0.23), 40.5°(1.0), 41.8°(0.19), 44.9°(0.09), 47.0°(0.17), 49.5°(0.13), 52.3°(0.14), 54.2°(0.11), 58.6°(0.08), 60.9°(0.08), 62.0°(0.15), 64.7°(0.09), 69.0°(0.11), 70.9°(0.11), 72.9°(0.09), 75.4°(0.09), 82... | JVASP-151342 | 5.80 5.80 3.50
90 90 96
Tb 0.726 0.274 0.000
Tb 0.274 0.726 0.000
Ni 0.000 0.000 0.500
Ni 0.773 0.773 0.000
Ni 0.227 0.227 0.000
B 0.612 0.913 0.500
B 0.388 0.087 0.500
B 0.087 0.388 0.500
B 0.913 0.612 0.500
B 0.613 0.613 0.500
B 0.387 0.387 0.500 |
Below is a description of a material. | The chemical formula is: Dy3Ir.
The XRD pattern shows main peaks at: 18.7°(0.14), 21.0°(0.2), 30.2°(0.28), 30.8°(0.17), 31.6°(0.44), 32.4°(1.0), 34.3°(0.27), 34.7°(0.97), 36.6°(0.28), 38.5°(0.3), 39.1°(0.3), 40.3°(0.27), 41.5°(0.2), 49.1°(0.25), 53.1°(0.15), 54.2°(0.17), 56.8°(0.15), 58.0°(0.11), 59.3°(0.17), 59.7°(0.1... | JVASP-153854 | 6.34 7.17 9.23
90 90 90
Dy 0.828 0.178 0.939
Dy 0.328 0.322 0.061
Dy 0.172 0.822 0.439
Dy 0.672 0.678 0.561
Dy 0.172 0.822 0.061
Dy 0.672 0.678 0.939
Dy 0.828 0.178 0.561
Dy 0.328 0.322 0.439
Dy 0.369 0.032 0.750
Dy 0.869 0.468 0.250
Dy 0.631 0.968 0.250
Dy 0.131 0.532 0.750
Ir 0.549 0.384 0.750
Ir 0.049 0.116 0.250
Ir... |
Below is a description of a material. | The chemical formula is: CeMg2Cu.
The XRD pattern shows main peaks at: 22.0°(0.18), 25.5°(0.49), 36.4°(1.0), 44.9°(0.14), 52.4°(0.18), 65.4°(0.35), 77.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18659 | 4.94 4.94 4.94
60 60 60
Ce 0.000 0.000 0.000
Mg 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Cu 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgBe2Sb.
The XRD pattern shows main peaks at: 20.3°(0.26), 25.2°(1.0), 32.8°(0.17), 38.8°(0.64), 41.2°(0.13), 47.0°(0.17), 51.7°(0.09), 53.6°(0.08), 54.1°(0.24), 57.7°(0.09), 62.4°(0.15), 64.3°(0.12), 68.7°(0.05), 73.5°(0.09), 77.6°(0.08), 81.8°(0.15), 83.3°(0.06).
Generate atomic structure des... | JVASP-64989 | 5.17 5.17 5.17
136 136 63
Mg 0.500 0.500 0.000
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Sb 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: HfBeCu.
The XRD pattern shows main peaks at: 25.9°(0.65), 28.6°(0.07), 38.9°(1.0), 45.6°(0.39), 53.2°(0.1), 54.7°(0.08), 59.1°(0.06), 61.5°(0.26), 65.6°(0.1), 72.7°(0.07), 77.7°(0.16), 79.8°(0.23), 83.6°(0.05), 84.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-70115 | 3.98 3.98 3.13
90 90 120
Hf 0.333 0.667 0.667
Be 0.000 0.000 0.167
Cu 0.667 0.333 0.167 |
Below is a description of a material. | The chemical formula is: CeNiPb.
The XRD pattern shows main peaks at: 23.6°(0.13), 27.3°(0.62), 39.0°(1.0), 46.0°(0.07), 48.2°(0.19), 56.3°(0.18), 63.6°(0.23), 70.6°(0.35), 83.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156470 | 4.62 4.62 4.62
60 60 60
Ce 0.250 0.250 0.250
Ni 0.000 0.000 0.000
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: La2Cu2O5.
The XRD pattern shows main peaks at: 22.8°(0.08), 23.5°(0.1), 29.4°(0.08), 32.9°(1.0), 34.2°(0.27), 38.2°(0.13), 40.2°(0.05), 41.5°(0.09), 41.9°(0.1), 46.5°(0.21), 48.0°(0.15), 56.4°(0.11), 58.0°(0.08), 58.9°(0.11), 62.1°(0.08), 64.4°(0.05), 69.1°(0.11), 77.5°(0.08), 87.6°(0.06).
Gene... | JVASP-159211 | 3.91 5.47 10.49
90 90 90
La 0.500 0.312 0.639
La 0.500 0.688 0.361
La 0.500 0.188 0.139
La 0.500 0.812 0.861
Cu 0.000 0.302 0.897
Cu 0.000 0.698 0.103
Cu 0.000 0.198 0.397
Cu 0.000 0.802 0.603
O 0.000 0.081 0.714
O 0.000 0.919 0.286
O 0.000 0.419 0.214
O 0.000 0.581 0.786
O 0.500 0.290 0.896
O 0.500 0.210 0.396
O 0.500... |
Below is a description of a material. | The chemical formula is: K2NaAg3C6N6.
The XRD pattern shows main peaks at: 10.1°(0.76), 15.0°(0.37), 18.1°(0.33), 20.3°(0.43), 28.1°(0.58), 30.3°(0.45), 32.0°(1.0), 36.7°(0.49), 40.7°(0.15), 41.2°(0.13), 43.6°(0.34), 53.9°(0.13), 58.2°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinat... | JVASP-10008 | 6.81 6.81 8.76
90 90 119
K 0.667 0.333 0.500
K 0.333 0.667 0.500
Na -0.000 0.000 0.500
Ag 0.500 0.500 0.000
Ag -0.000 0.500 0.000
Ag 0.500 0.000 0.000
C 0.636 0.000 0.792
C 0.364 1.000 0.208
C 0.000 0.636 0.792
C 1.000 0.364 0.208
C 0.636 0.636 0.208
C 0.364 0.364 0.792
N 1.000 0.295 0.330
N 0.295 1.000 0.330
N 0.295 0... |
Below is a description of a material. | The chemical formula is: Na2InCuCl6.
The XRD pattern shows main peaks at: 17.8°(1.0), 25.2°(0.55), 35.9°(0.74), 40.4°(0.48), 51.8°(0.47), 64.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108572 | 7.07 7.07 7.07
60 60 60
Na 0.750 0.750 0.750
Na 0.250 0.250 0.250
In 0.000 0.000 0.000
Cu 0.500 0.500 0.500
Cl 0.746 0.254 0.254
Cl 0.254 0.254 0.746
Cl 0.254 0.746 0.746
Cl 0.254 0.746 0.254
Cl 0.746 0.254 0.746
Cl 0.746 0.746 0.254 |
Below is a description of a material. | The chemical formula is: SrWO4.
The XRD pattern shows main peaks at: 17.9°(0.19), 27.5°(1.0), 29.8°(0.15), 32.8°(0.21), 44.9°(0.29), 47.1°(0.12), 51.5°(0.17), 55.4°(0.27), 56.7°(0.11), 71.8°(0.07), 72.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-89050 | 5.46 5.46 7.13
112 112 90
Sr 0.625 0.875 0.250
Sr 0.375 0.125 0.750
W 0.125 0.375 0.250
W 0.875 0.625 0.750
O 0.195 0.565 0.916
O 0.351 0.695 0.416
O 0.065 0.221 0.416
O 0.721 0.851 0.916
O 0.279 0.149 0.084
O 0.935 0.779 0.584
O 0.649 0.305 0.584
O 0.805 0.435 0.084 |
Below is a description of a material. | The chemical formula is: Li2GePt.
The XRD pattern shows main peaks at: 25.6°(0.35), 29.7°(1.0), 42.5°(0.89), 50.3°(0.07), 52.7°(0.27), 61.7°(0.14), 69.9°(0.35), 77.8°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110808 | 4.25 4.25 4.25
60 60 60
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
Ge 0.500 0.500 0.500
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Nb3N5.
The XRD pattern shows main peaks at: 17.0°(0.49), 24.3°(1.0), 25.8°(0.1), 29.8°(0.13), 30.9°(0.85), 34.5°(0.49), 35.6°(0.81), 38.6°(0.4), 43.4°(0.17), 46.4°(0.31), 46.9°(0.11), 49.5°(0.1), 52.7°(0.26), 53.4°(0.09), 56.6°(0.34), 61.9°(0.19), 67.9°(0.1), 69.9°(0.13), 70.5°(0.08), 88.7°(0.0... | JVASP-49849 | 3.91 5.57 10.43
90 90 110
Nb 0.131 0.262 0.940
Nb 0.131 0.262 0.560
Nb 0.202 0.404 0.250
Nb 0.798 0.596 0.750
Nb 0.869 0.738 0.060
Nb 0.869 0.738 0.440
N 0.309 0.618 0.426
N 0.047 0.094 0.120
N 0.047 0.094 0.380
N 0.309 0.618 0.074
N 0.235 0.470 0.750
N 0.953 0.906 0.880
N 0.691 0.382 0.574
N 0.691 0.382 0.926
N 0.765 ... |
Below is a description of a material. | The chemical formula is: LiVCrO4.
The XRD pattern shows main peaks at: 18.5°(0.86), 18.8°(0.88), 35.9°(0.32), 36.3°(0.33), 37.5°(0.07), 38.1°(0.07), 43.9°(1.0), 62.9°(0.1), 63.8°(0.36), 64.7°(0.09), 79.9°(0.08), 81.5°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137751 | 5.76 5.83 5.83
90 119 60
Li 0.250 0.125 0.125
Li 0.750 0.875 0.875
V -0.000 0.500 0.500
V 0.500 0.500 0.500
Cr 0.500 0.500 0.000
Cr -0.000 0.000 0.500
O 0.522 0.264 0.264
O 0.978 0.264 0.264
O 0.022 0.736 0.736
O 0.478 0.736 0.736
O 0.977 0.264 0.717
O 0.523 0.717 0.264
O 0.023 0.736 0.283
O 0.477 0.283 0.736 |
Below is a description of a material. | The chemical formula is: BeGeRh2.
The XRD pattern shows main peaks at: 21.8°(0.16), 29.6°(0.15), 31.0°(0.24), 37.0°(0.09), 43.4°(1.0), 44.3°(0.46), 54.2°(0.11), 61.5°(0.09), 64.5°(0.16), 78.9°(0.17), 80.9°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192320 | 3.02 4.09 4.09
90 90 90
Be 0.500 0.500 0.500
Ge 0.500 -0.000 -0.000
Rh 0.000 0.000 0.500
Rh 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TmZnPd.
The XRD pattern shows main peaks at: 24.5°(0.15), 28.4°(0.12), 34.3°(1.0), 37.3°(0.81), 37.9°(0.33), 43.2°(0.39), 45.1°(0.2), 48.4°(0.21), 52.5°(0.16), 58.3°(0.18), 66.8°(0.21), 69.9°(0.24), 80.6°(0.12), 81.1°(0.09), 82.8°(0.08).
Generate atomic structure description with lattice length... | JVASP-178009 | 3.76 7.26 7.26
119 90 90
Tm -0.000 0.598 -0.000
Tm 0.000 0.402 0.402
Tm -0.000 1.000 0.598
Zn 0.500 0.257 -0.000
Zn 0.500 0.743 0.743
Zn 0.500 -0.000 0.257
Pd -0.000 -0.000 -0.000
Pd 0.500 0.333 0.667
Pd 0.500 0.667 0.333 |
Below is a description of a material. | The chemical formula is: BaO.
The XRD pattern shows main peaks at: 18.9°(0.81), 23.7°(0.89), 30.5°(1.0), 38.3°(0.12), 41.7°(0.28), 45.6°(0.33), 46.2°(0.44), 48.6°(0.14), 52.6°(0.22), 58.0°(0.21), 63.5°(0.12), 64.5°(0.12), 69.3°(0.19), 74.9°(0.1), 79.4°(0.08).
Generate atomic structure description with lattice lengths, ... | JVASP-115595 | 4.33 4.33 4.69
90 90 120
Ba 0.000 0.000 0.000
O 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: NiP8W.
The XRD pattern shows main peaks at: 19.2°(1.0), 20.1°(0.16), 26.0°(0.49), 28.4°(0.69), 34.6°(0.98), 35.0°(0.27), 38.9°(0.25), 45.3°(0.48), 50.5°(0.8), 54.4°(0.36), 74.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-145286 | 6.28 6.28 8.84
90 90 120
Ni 0.000 0.000 0.500
Ni 0.000 0.000 0.000
P 0.680 0.955 0.153
P 0.320 0.045 0.847
P 0.045 0.724 0.153
P 0.680 0.724 0.347
P 0.955 0.276 0.847
P 0.320 0.276 0.653
P 0.276 0.320 0.153
P 0.045 0.320 0.347
P 0.724 0.680 0.847
P 0.955 0.680 0.653
P 0.276 0.955 0.347
P 0.724 0.045 0.653
P 0.333 0.667... |
Below is a description of a material. | The chemical formula is: CoNi2Mo.
The XRD pattern shows main peaks at: 43.5°(1.0), 50.7°(0.38), 74.5°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189652 | 4.41 4.41 4.41
131 131 70
Ni 1.000 -0.000 0.000
Ni 0.250 0.750 0.500
Mo 0.750 0.250 0.500
Co 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CuMoF6.
The XRD pattern shows main peaks at: 21.4°(0.06), 24.0°(1.0), 32.6°(0.4), 35.8°(0.14), 40.7°(0.12), 43.6°(0.16), 49.2°(0.15), 53.3°(0.34), 56.1°(0.08), 57.6°(0.15), 62.3°(0.07), 64.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99108 | 5.02 5.02 5.54
63 89 60
Cu 0.000 0.000 0.000
Mo 0.500 0.000 0.500
F 0.737 0.849 0.261
F 0.263 0.151 0.739
F 0.586 0.524 0.739
F 0.414 0.476 0.261
F 0.110 0.153 0.261
F 0.890 0.847 0.739 |
Below is a description of a material. | The chemical formula is: AsC3.
The XRD pattern shows main peaks at: 14.7°(1.0), 29.6°(0.52), 35.2°(0.5), 38.3°(0.6), 45.1°(0.06), 46.7°(0.42), 58.5°(0.19), 61.5°(0.05), 63.2°(0.15), 65.3°(0.12), 71.3°(0.21), 72.9°(0.12), 76.4°(0.08), 81.0°(0.07), 82.1°(0.09).
Generate atomic structure description with lattice lengths, ... | JVASP-125461 | 2.94 2.94 6.03
90 90 120
As 0.000 0.000 0.000
C 0.000 0.000 0.500
C 0.667 0.333 0.000
C 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: RbAlSb.
The XRD pattern shows main peaks at: 9.3°(0.49), 18.6°(0.28), 27.1°(1.0), 28.0°(0.41), 28.7°(0.16), 33.1°(0.27), 38.7°(0.36), 39.4°(0.68), 39.9°(0.07), 43.3°(0.13), 48.5°(0.37), 56.0°(0.12), 63.3°(0.18), 63.7°(0.15), 66.6°(0.07), 70.6°(0.24), 82.9°(0.08).
Generate atomic structure descr... | JVASP-116341 | 3.29 3.29 9.55
90 90 90
Rb 0.000 0.000 0.634
Al 0.000 0.000 0.280
Sb 0.000 0.000 -0.005 |
Below is a description of a material. | The chemical formula is: Tb7FeI12.
The XRD pattern shows main peaks at: 10.6°(0.09), 11.5°(0.23), 25.4°(0.08), 29.3°(1.0), 30.3°(0.05), 34.6°(0.06), 36.6°(0.07), 41.6°(0.33), 42.3°(0.33), 52.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169532 | 9.59 9.59 9.59
106 106 106
Tb 0.500 0.500 0.500
Tb 0.294 0.094 0.025
Tb 0.094 0.025 0.294
Tb 0.025 0.294 0.094
Tb 0.706 0.906 0.975
Tb 0.906 0.975 0.706
Tb 0.975 0.706 0.906
Fe 0.000 0.000 0.000
I 0.390 0.470 0.156
I 0.470 0.156 0.390
I 0.156 0.390 0.470
I 0.610 0.530 0.844
I 0.530 0.844 0.610
I 0.844 0.610 0.530
I 0.3... |
Below is a description of a material. | The chemical formula is: FeO.
The XRD pattern shows main peaks at: 36.2°(0.63), 42.1°(1.0), 61.0°(0.53), 73.1°(0.25), 76.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105696 | 3.04 5.26 5.26
80 90 73
Fe 0.493 0.000 0.500
Fe 0.751 0.500 0.250
Fe 0.007 1.000 0.000
Fe 0.249 0.500 0.750
O 0.871 0.250 0.625
O 0.379 0.250 0.125
O 0.122 0.750 0.375
O 0.628 0.750 0.875 |
Below is a description of a material. | The chemical formula is: ZrTaNb.
The XRD pattern shows main peaks at: 21.6°(0.19), 37.1°(1.0), 37.9°(0.84), 48.9°(0.07), 54.1°(0.3), 66.4°(0.17), 67.9°(0.33), 68.4°(0.15), 79.0°(0.1), 80.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187333 | 3.00 4.75 4.75
120 90 90
Nb 0.359 0.667 0.333
Zr 0.022 -0.000 -0.000
Ta 0.619 0.333 0.667 |
Below is a description of a material. | The chemical formula is: BaCuO3.
The XRD pattern shows main peaks at: 22.2°(0.07), 31.6°(1.0), 39.0°(0.13), 45.3°(0.33), 56.3°(0.38), 66.0°(0.19), 75.0°(0.16), 83.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93235 | 4.00 4.00 4.00
90 90 90
Ba 0.500 0.500 0.500
Cu 0.000 0.000 0.000
O 0.500 0.000 0.000
O 0.000 0.500 0.000
O 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: ZrTi2Zn.
The XRD pattern shows main peaks at: 23.6°(0.07), 29.1°(0.07), 37.7°(1.0), 41.6°(0.38), 48.2°(0.14), 60.2°(0.13), 65.5°(0.18), 73.3°(0.27), 80.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186995 | 3.07 3.07 7.55
90 90 90
Zn 0.500 0.500 -0.000
Zr 0.500 0.500 0.500
Ti -0.000 0.000 0.775
Ti 0.000 -0.000 0.225 |
Below is a description of a material. | The chemical formula is: TiGa2O5.
The XRD pattern shows main peaks at: 17.8°(0.33), 26.0°(1.0), 31.6°(0.15), 32.2°(0.93), 36.2°(0.15), 36.7°(0.31), 37.5°(0.33), 40.5°(0.19), 45.4°(0.23), 45.8°(0.12), 48.7°(0.14), 50.1°(0.3), 52.0°(0.1), 52.7°(0.07), 55.7°(0.1), 59.7°(0.34), 60.8°(0.27), 66.3°(0.08), 69.9°(0.1), 72.5°(0... | JVASP-163770 | 3.64 10.08 5.29
90 69 90
Ti 0.178 0.250 0.644
Ti 0.822 0.750 0.356
Ga 0.137 0.558 0.726
Ga 0.137 0.942 0.726
Ga 0.863 0.058 0.274
Ga 0.863 0.442 0.274
O 0.046 0.119 0.908
O 0.046 0.381 0.908
O 0.693 0.924 0.613
O 0.693 0.576 0.613
O 0.251 0.750 0.497
O 0.749 0.250 0.503
O 0.307 0.076 0.387
O 0.307 0.424 0.387
O 0.954 0... |
Below is a description of a material. | The chemical formula is: TbRh5.
The XRD pattern shows main peaks at: 28.6°(0.27), 34.4°(0.24), 39.9°(0.3), 40.4°(1.0), 41.8°(0.3), 45.3°(0.22), 55.2°(0.12), 58.1°(0.08), 59.2°(0.18), 65.7°(0.23), 72.5°(0.18), 75.3°(0.15), 87.3°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-16614 | 5.21 5.21 4.33
90 90 120
Tb 0.000 0.000 0.000
Rh 0.333 0.667 0.000
Rh 0.667 0.333 0.000
Rh 0.500 -0.000 0.500
Rh 0.500 0.500 0.500
Rh -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ScTaN.
The XRD pattern shows main peaks at: 17.2°(0.66), 34.7°(1.0), 38.0°(0.58), 42.9°(0.6), 56.4°(0.27), 60.0°(0.21), 63.0°(0.13), 71.3°(0.33), 73.3°(0.08), 76.6°(0.11), 87.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103426 | 3.08 3.08 10.30
90 90 120
Sc 0.000 0.000 0.500
Sc 0.000 0.000 0.000
Ta 0.667 0.333 0.756
Ta 0.333 0.667 0.244
N 0.667 0.333 0.370
N 0.333 0.667 0.630 |
Below is a description of a material. | The chemical formula is: Ba4La2SbRuO12.
The XRD pattern shows main peaks at: 29.3°(1.0), 41.7°(0.32), 52.0°(0.32), 60.8°(0.13), 68.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-140893 | 6.09 6.09 10.63
90 106 119
Ba 0.244 0.122 0.871
Ba 0.259 0.630 0.384
Ba 0.741 0.370 0.616
Ba 0.756 0.878 0.129
La 0.497 0.749 0.751
La 0.503 0.251 0.249
Sb 0.000 0.500 -0.000
Ru -0.000 0.000 0.500
O 0.265 0.401 0.098
O 0.251 0.899 0.603
O 0.261 0.866 0.095
O 0.247 0.354 0.600
O 0.753 0.646 0.400
O 0.839 0.421 0.148
O 0... |
Below is a description of a material. | The chemical formula is: ReH3O5.
The XRD pattern shows main peaks at: 16.2°(1.0), 16.7°(0.59), 17.6°(0.64), 25.2°(0.74), 26.0°(0.67), 26.5°(0.62), 26.9°(0.62), 27.5°(0.21), 28.9°(0.38), 30.9°(0.5), 33.0°(0.13), 33.6°(0.19), 35.2°(0.16), 42.1°(0.15), 42.5°(0.29), 43.0°(0.19), 43.6°(0.16), 45.7°(0.15), 51.7°(0.13), 53.5°... | JVASP-176836 | 7.23 7.03 7.39
132 129 71
Re 0.397 0.130 0.254
Re 0.652 0.898 0.782
H 0.814 0.482 0.128
H 0.838 0.750 0.179
H -0.043 0.368 0.688
H 0.212 0.277 0.857
H 0.093 0.659 0.348
H 0.235 0.545 0.909
O 0.917 0.664 0.276
O 0.133 0.363 0.761
O 0.692 0.340 0.593
O 0.297 0.109 0.951
O 0.638 0.214 0.895
O 0.857 0.764 0.694
O 0.358 0.6... |
Below is a description of a material. | The chemical formula is: LaSi2Rh2.
The XRD pattern shows main peaks at: 17.1°(0.07), 23.1°(0.22), 33.8°(0.31), 34.7°(0.19), 35.1°(1.0), 43.6°(0.37), 49.2°(0.1), 56.9°(0.17), 62.5°(0.19), 63.3°(0.13), 74.5°(0.23), 89.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15659 | 4.15 4.15 5.95
110 110 89
La 0.000 0.000 0.000
Si 0.628 0.628 0.256
Si 0.372 0.372 0.744
Rh 0.250 0.750 0.500
Rh 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Tl3BS3.
The XRD pattern shows main peaks at: 21.6°(0.23), 22.5°(0.9), 24.2°(0.23), 26.8°(0.51), 29.6°(0.51), 30.5°(0.17), 31.0°(0.2), 31.9°(1.0), 32.7°(0.77), 33.5°(0.15), 34.8°(0.21), 38.7°(0.34), 40.9°(0.18), 46.7°(0.17), 49.0°(0.25), 49.6°(0.14), 50.8°(0.14), 54.0°(0.16), 54.7°(0.13), 58.4°(... | JVASP-88430 | 5.52 6.67 9.82
90 90 97
Tl 0.271 0.672 0.054
Tl 0.729 0.328 0.554
Tl 0.729 0.328 0.946
Tl 0.271 0.672 0.446
Tl 0.819 0.975 0.250
Tl 0.181 0.025 0.750
B 0.389 0.259 0.250
B 0.611 0.741 0.750
S 0.751 0.827 0.588
S 0.249 0.173 0.088
S 0.249 0.173 0.412
S 0.751 0.827 0.912
S 0.325 0.567 0.750
S 0.675 0.433 0.250 |
Below is a description of a material. | The chemical formula is: Al3Te.
The XRD pattern shows main peaks at: 19.8°(0.64), 28.2°(0.57), 34.7°(1.0), 40.3°(0.49), 45.3°(0.32), 49.9°(0.24), 58.3°(0.33), 62.2°(0.15), 66.0°(0.1), 69.7°(0.35), 73.2°(0.1), 76.8°(0.06), 80.2°(0.11), 87.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-125555 | 4.48 4.48 4.48
90 90 90
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
Al 0.500 0.500 0.000
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbBr3.
The XRD pattern shows main peaks at: 28.9°(0.31), 31.4°(1.0), 39.7°(0.26), 49.9°(0.24), 52.8°(0.22), 57.4°(0.09), 65.5°(0.1), 66.9°(0.21), 74.3°(0.08), 81.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79031 | 6.96 6.96 6.96
141 141 54
Rb 0.000 0.000 0.000
Br 0.750 0.250 0.500
Br 0.250 0.750 0.500
Br 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiTiS2O2.
The XRD pattern shows main peaks at: 9.8°(1.0), 19.6°(0.28), 32.3°(0.22), 33.0°(0.71), 36.7°(0.2), 38.7°(0.21), 42.9°(0.11), 46.2°(0.22), 51.6°(0.12), 54.0°(0.23), 54.8°(0.08), 59.8°(0.06), 62.2°(0.05), 65.1°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-93816 | 3.41 3.54 9.50
90 104 121
Li 0.000 0.000 0.500
Ti 0.000 0.000 0.000
S 0.478 0.739 0.155
S 0.522 0.261 0.845
O 0.103 0.551 0.444
O 0.897 0.449 0.556 |
Below is a description of a material. | The chemical formula is: MgMoRh2.
The XRD pattern shows main peaks at: 12.3°(0.24), 24.7°(0.06), 31.1°(0.07), 33.6°(0.06), 40.1°(1.0), 44.6°(0.34), 50.7°(0.12), 64.8°(0.11), 69.7°(0.18), 79.1°(0.24), 86.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191703 | 2.88 2.88 7.21
90 90 90
Mo 0.500 0.500 0.750
Rh -0.000 -0.000 0.996
Rh 0.000 -0.000 0.504
Mg 0.500 0.500 0.250 |
Below is a description of a material. | The chemical formula is: LiMg2Pt3.
The XRD pattern shows main peaks at: 26.0°(0.52), 30.3°(0.73), 40.3°(1.0), 43.3°(0.38), 51.2°(0.33), 63.0°(0.14), 69.3°(0.14), 71.5°(0.12), 77.5°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191862 | 2.95 2.95 10.29
90 90 90
Li 0.500 0.500 0.500
Mg 0.500 0.500 0.825
Mg 0.500 0.500 0.175
Pt 0.000 0.000 0.000
Pt 0.000 -0.000 0.655
Pt -0.000 0.000 0.345 |
Below is a description of a material. | The chemical formula is: InBiS3.
The XRD pattern shows main peaks at: 13.5°(0.51), 16.6°(0.65), 22.0°(0.2), 24.4°(0.34), 27.2°(0.22), 27.7°(0.45), 29.1°(0.55), 29.8°(0.14), 31.9°(0.55), 32.6°(1.0), 35.6°(0.22), 36.4°(0.1), 39.8°(0.11), 44.4°(0.09), 45.0°(0.36), 46.2°(0.39), 47.4°(0.35), 50.8°(0.09), 54.4°(0.15), 57.3°(... | JVASP-151676 | 3.93 6.59 9.85
86 90 90
In 0.637 0.757 0.992
In 0.137 0.243 0.008
Bi 0.637 0.391 0.352
Bi 0.137 0.609 0.648
S 0.137 0.246 0.522
S 0.637 0.754 0.478
S 0.637 0.429 0.850
S 0.137 0.571 0.150
S 0.637 0.070 0.150
S 0.137 0.930 0.850 |
Below is a description of a material. | The chemical formula is: Mn2P.
The XRD pattern shows main peaks at: 40.5°(1.0), 44.1°(0.6), 45.5°(0.44), 52.1°(0.23), 53.9°(0.16), 56.2°(0.19), 75.1°(0.18), 80.1°(0.13), 85.6°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90496 | 6.09 6.09 3.27
90 90 120
Mn 0.257 0.257 0.000
Mn 0.743 0.000 0.000
Mn 0.599 0.599 0.500
Mn 0.000 0.743 0.000
Mn 0.401 0.000 0.500
Mn 0.000 0.401 0.500
P 0.333 0.667 0.000
P 0.000 0.000 0.500
P 0.667 0.333 1.000 |
Below is a description of a material. | The chemical formula is: Rb2NpO4.
The XRD pattern shows main peaks at: 12.7°(0.45), 21.5°(0.34), 28.1°(1.0), 29.2°(0.52), 31.9°(0.09), 38.3°(0.13), 38.7°(0.15), 41.7°(0.29), 43.8°(0.08), 47.4°(0.09), 49.1°(0.21), 51.1°(0.39), 58.2°(0.18), 60.4°(0.09), 63.7°(0.1), 68.0°(0.09), 68.5°(0.1), 74.1°(0.09), 81.5°(0.11), 83.0°... | JVASP-35385 | 4.33 4.33 7.63
106 106 90
Rb 0.346 0.346 0.691
Rb 0.654 0.654 0.309
Np 0.000 0.000 0.000
O 0.139 0.139 0.278
O 0.861 0.861 0.722
O 0.000 0.500 0.000
O 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CeSe.
The XRD pattern shows main peaks at: 24.6°(0.08), 35.0°(1.0), 50.3°(0.16), 62.8°(0.35), 73.9°(0.1), 84.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36217 | 3.63 3.63 3.63
90 90 90
Ce 0.000 0.000 0.000
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Zn2AsOs.
The XRD pattern shows main peaks at: 24.6°(0.2), 28.5°(0.1), 40.8°(1.0), 48.2°(0.11), 59.0°(0.18), 74.2°(0.36), 88.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75768 | 4.43 4.43 4.43
60 60 60
Zn 0.000 0.000 0.000
Zn 0.250 0.250 0.250
As 0.500 0.500 0.500
Os 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YMgRh2.
The XRD pattern shows main peaks at: 19.5°(0.12), 26.4°(0.06), 27.7°(0.11), 33.0°(0.06), 38.6°(1.0), 39.6°(0.48), 54.3°(0.09), 57.2°(0.14), 69.2°(0.16), 71.2°(0.33), 82.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190508 | 3.38 4.55 4.55
90 90 90
Y 0.000 0.000 0.000
Mg 0.000 0.500 0.500
Rh 0.500 0.000 0.500
Rh 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Al4Ni15Sn.
The XRD pattern shows main peaks at: 5.0°(0.1), 43.7°(1.0), 50.7°(0.3), 74.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119508 | 3.60 3.60 17.81
90 90 90
Al 0.000 0.000 0.207
Al 0.000 0.000 0.402
Al 0.000 0.000 0.598
Al 0.000 0.000 0.793
Ni 0.000 0.500 0.696
Ni 0.000 0.500 0.500
Ni 0.000 0.500 0.304
Ni 0.000 0.500 0.109
Ni 0.500 0.000 0.891
Ni 0.500 0.000 0.696
Ni 0.500 0.000 0.500
Ni 0.500 0.000 0.109
Ni 0.000 0.500 0.891
Ni 0.500 0.500 0.794
N... |
Below is a description of a material. | The chemical formula is: Rb2AgSe2.
The XRD pattern shows main peaks at: 13.1°(0.41), 17.4°(0.29), 21.8°(0.18), 23.4°(0.18), 26.1°(0.26), 26.5°(0.2), 27.3°(0.47), 29.6°(0.44), 31.5°(1.0), 34.3°(0.24), 35.2°(0.27), 36.2°(0.22), 36.9°(0.76), 38.1°(0.16), 44.4°(0.18), 45.3°(0.27), 48.3°(0.15), 53.7°(0.14), 56.8°(0.2), 59.3... | JVASP-159987 | 4.00 6.52 6.91
77 89 107
Rb 0.160 0.320 0.281
Rb 0.840 0.680 0.719
Ag 0.500 0.000 0.000
Se 0.890 0.779 0.209
Se 0.110 0.221 0.791 |
Below is a description of a material. | The chemical formula is: HoNi4P2.
The XRD pattern shows main peaks at: 17.7°(0.06), 25.1°(0.11), 27.8°(0.19), 35.9°(0.1), 37.8°(1.0), 40.3°(0.46), 44.1°(0.19), 47.8°(0.2), 50.7°(0.19), 53.3°(0.1), 59.6°(0.13), 66.7°(0.19), 71.6°(0.25), 76.7°(0.06), 77.2°(0.06), 86.8°(0.09).
Generate atomic structure description with la... | JVASP-121973 | 7.08 7.08 3.60
90 90 90
Ho 0.500 0.500 0.000
Ho 0.000 0.000 0.500
Ni 0.584 0.164 0.500
Ni 0.416 0.836 0.500
Ni 0.084 0.336 0.000
Ni 0.916 0.664 0.000
Ni 0.164 0.584 0.500
Ni 0.836 0.416 0.500
Ni 0.336 0.084 0.000
Ni 0.664 0.916 0.000
P 0.720 0.720 0.500
P 0.280 0.280 0.500
P 0.220 0.780 0.000
P 0.780 0.220 0.000 |
Below is a description of a material. | The chemical formula is: HfTaB2.
The XRD pattern shows main peaks at: 19.6°(0.08), 28.1°(0.57), 34.6°(0.92), 40.2°(1.0), 49.6°(0.21), 54.1°(0.14), 58.3°(0.13), 65.8°(0.34), 69.2°(0.12), 73.0°(0.27), 76.4°(0.05), 79.4°(0.1), 83.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-106068 | 4.83 4.83 3.17
90 90 138
Hf 0.147 0.853 0.500
Ta 0.858 0.142 0.000
B 0.441 0.559 0.500
B 0.550 0.450 0.000 |
Below is a description of a material. | The chemical formula is: LaMg6Sb.
The XRD pattern shows main peaks at: 13.9°(0.13), 15.2°(1.0), 22.7°(0.46), 23.6°(0.39), 27.3°(0.2), 28.0°(0.12), 30.9°(0.89), 33.4°(0.48), 35.8°(0.98), 36.3°(0.38), 37.9°(0.24), 39.6°(0.2), 42.1°(0.11), 48.3°(0.17), 50.6°(0.17), 51.3°(0.13), 53.5°(0.17), 64.5°(0.12), 65.0°(0.17), 67.1°... | JVASP-93135 | 7.16 7.16 4.95
90 90 125
La 0.193 0.307 0.250
Mg 0.157 0.794 0.250
Mg 0.706 0.343 0.250
Mg 0.647 0.853 0.250
Mg 0.314 0.678 0.750
Mg 0.822 0.186 0.750
Mg 0.793 0.707 0.750
Sb 0.368 0.132 0.750 |
Below is a description of a material. | The chemical formula is: NdS3.
The XRD pattern shows main peaks at: 17.7°(0.34), 23.8°(0.73), 30.9°(0.29), 31.8°(0.43), 35.8°(0.21), 36.6°(0.1), 39.4°(1.0), 45.0°(0.19), 48.7°(0.18), 50.9°(0.25), 52.1°(0.1), 61.8°(0.27), 64.4°(0.15), 69.7°(0.09), 70.7°(0.1), 73.6°(0.19), 78.2°(0.13).
Generate atomic structure descripti... | JVASP-38520 | 5.79 5.79 5.63
90 90 120
Nd 0.667 0.333 0.250
Nd 0.333 0.667 0.750
S 0.825 0.649 0.750
S 0.825 0.175 0.750
S 0.351 0.175 0.750
S 0.175 0.351 0.250
S 0.175 0.825 0.250
S 0.649 0.825 0.250 |
Below is a description of a material. | The chemical formula is: CoHO2.
The XRD pattern shows main peaks at: 20.3°(1.0), 36.7°(0.16), 38.6°(0.61), 45.7°(0.12), 50.5°(0.41), 61.9°(0.15), 64.8°(0.19), 68.6°(0.17), 78.1°(0.06), 83.2°(0.07), 86.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146887 | 4.68 4.99 5.75
89 90 110
Co -0.000 0.497 0.750
Co -0.000 0.997 0.500
Co 0.000 0.503 0.250
Co 0.000 0.003 0.000
H 0.467 0.991 0.750
H 0.533 0.009 0.250
H 0.467 0.491 0.500
H 0.533 0.509 -0.000
O 0.219 0.907 0.751
O 0.217 0.905 0.249
O 0.219 0.407 0.499
O 0.217 0.405 0.001
O 0.783 0.095 0.749
O 0.781 0.093 0.251
O 0.783 ... |
Below is a description of a material. | The chemical formula is: TiCrTc2.
The XRD pattern shows main peaks at: 29.5°(0.15), 42.2°(1.0), 61.2°(0.15), 69.4°(0.05), 77.1°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190117 | 3.03 4.29 4.29
90 90 90
Cr 0.500 0.500 0.500
Tc 0.000 0.000 0.500
Tc 0.000 0.500 0.000
Ti 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4ScFe.
The XRD pattern shows main peaks at: 15.4°(0.46), 25.3°(0.07), 29.8°(1.0), 31.2°(0.69), 36.1°(0.21), 39.5°(0.15), 47.5°(0.34), 52.0°(0.32), 54.6°(0.11), 61.1°(0.12), 61.9°(0.29), 65.0°(0.06), 67.3°(0.06), 73.1°(0.21), 76.7°(0.06), 84.4°(0.07), 85.1°(0.06).
Generate atomic structure des... | JVASP-66639 | 7.03 7.03 7.03
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
Sc 0.000 0.000 0.000
Fe 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Fe5B2P.
The XRD pattern shows main peaks at: 34.7°(0.15), 38.1°(0.63), 42.2°(0.4), 45.7°(1.0), 47.3°(0.22), 48.6°(0.66), 53.3°(0.53), 73.3°(0.09), 84.4°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22459 | 5.43 5.43 6.44
114 114 90
Fe 0.500 0.500 0.000
Fe 0.467 0.309 0.277
Fe 0.309 0.809 0.277
Fe 0.533 0.691 0.723
Fe 0.191 0.033 0.723
Fe 0.033 0.533 0.723
Fe 0.691 0.191 0.723
Fe 0.967 0.467 0.277
Fe 0.000 0.000 0.000
Fe 0.809 0.967 0.277
B 0.381 0.881 -0.000
B 0.119 0.381 -0.000
B 0.619 0.119 0.000
B 0.881 0.619 0.000
P ... |
Below is a description of a material. | The chemical formula is: Li2MnCoO4.
The XRD pattern shows main peaks at: 18.7°(1.0), 35.3°(0.17), 37.1°(0.17), 37.9°(0.09), 42.4°(0.29), 45.2°(0.26), 48.1°(0.1), 63.6°(0.2), 65.3°(0.07), 66.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116499 | 4.96 5.00 5.84
91 92 107
Li 0.758 0.501 0.121
Li 0.267 0.507 0.359
Li 0.733 0.493 0.641
Li 0.242 0.499 0.879
Mn 0.754 0.011 0.366
Mn 0.246 0.989 0.634
Co 0.746 0.995 0.878
Co 0.254 0.005 0.122
O 0.990 0.764 0.892
O 0.516 0.785 0.117
O 0.023 0.789 0.365
O 0.488 0.756 0.638
O 0.512 0.244 0.362
O 0.977 0.211 0.635
O 0.484... |
Below is a description of a material. | The chemical formula is: NdBPd3.
The XRD pattern shows main peaks at: 35.5°(1.0), 41.3°(0.54), 59.8°(0.37), 71.5°(0.4), 75.2°(0.12), 89.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15888 | 4.38 4.38 4.38
90 90 90
Nd 0.000 0.000 0.000
B 0.500 0.500 0.500
Pd 0.000 0.500 0.500
Pd 0.500 0.500 0.000
Pd 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: YMg.
The XRD pattern shows main peaks at: 16.6°(0.45), 29.9°(0.34), 31.5°(1.0), 37.1°(0.64), 40.9°(0.15), 52.2°(0.21), 55.1°(0.12), 62.2°(0.13), 65.7°(0.11), 85.4°(0.11), 88.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94377 | 3.51 3.51 16.07
90 90 120
Y 0.333 0.667 0.167
Y 0.000 0.000 0.500
Y 0.667 0.333 0.833
Mg 0.000 0.000 0.000
Mg 0.667 0.333 0.333
Mg 0.333 0.667 0.667 |
Below is a description of a material. | The chemical formula is: PbSe.
The XRD pattern shows main peaks at: 24.9°(0.38), 28.8°(1.0), 41.2°(0.77), 48.8°(0.1), 51.1°(0.3), 59.7°(0.13), 67.7°(0.38), 75.2°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1115 | 4.38 4.38 4.38
60 60 60
Pb 0.000 0.000 0.000
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er5Tl3.
The XRD pattern shows main peaks at: 27.3°(0.21), 29.7°(0.1), 30.7°(0.27), 33.7°(1.0), 34.1°(0.67), 35.0°(0.28), 36.1°(0.13), 43.0°(0.1), 44.6°(0.14), 49.6°(0.12), 52.5°(0.29), 55.4°(0.09), 56.4°(0.11), 67.2°(0.21), 68.1°(0.09), 80.7°(0.09).
Generate atomic structure description with la... | JVASP-154199 | 8.89 8.89 6.52
90 90 120
Er 0.333 0.667 0.000
Er 0.667 0.333 0.500
Er 0.667 0.333 0.000
Er 0.333 0.667 0.500
Er 0.234 0.000 0.250
Er 0.000 0.234 0.250
Er 0.766 0.766 0.250
Er 0.766 1.000 0.750
Er 1.000 0.766 0.750
Er 0.234 0.234 0.750
Tl 0.598 1.000 0.250
Tl 1.000 0.598 0.250
Tl 0.402 0.402 0.250
Tl 0.402 0.000 0.750
T... |
Below is a description of a material. | The chemical formula is: PaNb2V.
The XRD pattern shows main peaks at: 23.1°(0.37), 38.1°(1.0), 45.1°(0.19), 55.1°(0.17), 60.5°(0.09), 68.9°(0.35), 73.8°(0.07), 81.6°(0.12), 86.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156969 | 4.72 4.72 4.72
60 60 60
Pa 0.250 0.250 0.250
Nb 0.000 0.000 0.000
Nb 0.500 0.500 0.500
V 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BeInSi2.
The XRD pattern shows main peaks at: 12.7°(0.61), 25.5°(0.57), 28.1°(0.63), 30.9°(0.99), 38.3°(1.0), 40.2°(0.61), 42.3°(0.16), 48.2°(0.4), 57.0°(0.22), 58.1°(0.2), 60.5°(0.23), 64.5°(0.16), 65.8°(0.11), 67.3°(0.22), 68.0°(0.07), 71.8°(0.3), 74.1°(0.08), 79.0°(0.09), 81.0°(0.11), 88.8°(... | JVASP-67835 | 3.17 3.17 6.99
90 90 90
Be 0.000 0.000 0.425
In 0.500 0.500 0.712
Si 0.000 0.000 0.088
Si 0.500 0.500 0.275 |
Below is a description of a material. | The chemical formula is: Ba4MnHg.
The XRD pattern shows main peaks at: 15.5°(0.14), 17.9°(0.08), 25.5°(0.23), 29.9°(1.0), 31.3°(0.46), 36.3°(0.06), 44.9°(0.1), 47.7°(0.36), 52.3°(0.32), 61.4°(0.14), 62.2°(0.19), 71.3°(0.06), 73.5°(0.24), 77.1°(0.05), 84.8°(0.08).
Generate atomic structure description with lattice lengt... | JVASP-66217 | 7.00 7.00 7.00
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
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Sr2LiIn.
The XRD pattern shows main peaks at: 18.9°(0.33), 31.2°(1.0), 36.7°(0.2), 44.6°(0.18), 48.9°(0.09), 55.4°(0.39), 59.1°(0.06), 65.0°(0.12), 68.3°(0.05), 73.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40311 | 5.74 5.74 5.74
60 60 60
Sr 0.000 0.000 0.000
Sr 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: NaLi3V4O12.
The XRD pattern shows main peaks at: 13.7°(0.15), 18.5°(0.91), 20.3°(0.15), 26.0°(1.0), 27.6°(0.17), 28.5°(0.99), 29.7°(0.34), 31.4°(0.28), 32.6°(0.55), 35.4°(0.19), 38.6°(0.2), 40.3°(0.05), 44.6°(0.23), 46.2°(0.14), 48.6°(0.14), 51.2°(0.21), 52.7°(0.13), 54.7°(0.18), 63.7°(0.09), 6... | JVASP-116667 | 6.74 6.74 5.86
74 74 80
Na 0.713 0.287 0.000
Li 0.921 0.079 0.500
Li 0.089 0.911 -0.000
Li 0.272 0.728 0.500
V 0.807 0.618 0.503
V 0.382 0.193 0.497
V 0.191 0.380 0.997
V 0.620 0.809 0.003
O 0.225 0.001 0.590
O 0.999 0.775 0.410
O 0.656 0.635 0.804
O 0.365 0.344 0.196
O 0.333 0.378 0.688
O 0.626 0.093 0.457
O 0.384 0.9... |
Below is a description of a material. | The chemical formula is: AlSb.
The XRD pattern shows main peaks at: 23.4°(0.46), 24.6°(0.38), 26.5°(1.0), 34.2°(0.24), 41.2°(0.37), 44.5°(0.45), 48.5°(0.34), 49.6°(0.18), 62.2°(0.17), 66.4°(0.14), 67.1°(0.07), 69.5°(0.12), 77.3°(0.17), 80.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-35748 | 4.39 4.39 7.24
90 90 119
Al 0.667 0.333 0.499
Al 0.333 0.667 -0.001
Sb 0.667 0.333 0.126
Sb 0.333 0.667 0.626 |
Below is a description of a material. | The chemical formula is: B2AsP.
The XRD pattern shows main peaks at: 18.9°(0.16), 26.9°(0.15), 33.1°(1.0), 38.4°(0.32), 43.2°(0.1), 47.5°(0.07), 55.5°(0.41), 66.2°(0.35), 69.5°(0.08), 82.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36197 | 3.31 3.31 4.69
90 90 90
B 0.500 0.000 0.763
B 0.000 0.500 0.237
As 0.000 0.000 0.500
P 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: PHPbO4.
The XRD pattern shows main peaks at: 13.6°(0.21), 19.0°(0.45), 20.5°(0.7), 27.1°(1.0), 29.2°(0.87), 31.0°(0.3), 33.5°(0.25), 34.9°(0.16), 36.2°(0.2), 38.2°(0.17), 38.6°(0.15), 41.8°(0.25), 42.6°(0.23), 44.9°(0.16), 45.5°(0.13), 47.9°(0.21), 49.4°(0.25), 51.5°(0.18), 52.7°(0.19), 61.9°(0... | JVASP-144313 | 6.53 4.69 5.80
84 90 90
P 0.712 0.000 0.750
P 0.288 0.000 0.250
H 0.000 0.000 0.500
H 0.000 0.000 0.000
Pb 0.290 0.500 0.750
Pb 0.710 0.500 0.250
O 0.581 0.761 0.878
O 0.419 0.239 0.122
O 0.581 0.239 0.622
O 0.419 0.761 0.378
O 0.853 0.863 0.571
O 0.147 0.137 0.429
O 0.853 0.137 0.929
O 0.147 0.863 0.071 |
Below is a description of a material. | The chemical formula is: BaTi2Tl.
The XRD pattern shows main peaks at: 17.0°(0.07), 24.2°(0.39), 26.3°(0.17), 34.4°(0.53), 36.0°(1.0), 43.8°(0.17), 49.5°(0.2), 54.1°(0.08), 55.8°(0.09), 56.9°(0.09), 60.1°(0.08), 62.7°(0.38), 65.7°(0.16), 72.6°(0.06), 76.4°(0.11), 81.5°(0.07), 82.9°(0.09), 83.8°(0.09), 88.8°(0.05).
Gene... | JVASP-65424 | 5.21 5.21 3.39
90 90 90
Ba 0.000 0.500 0.500
Ti 0.000 0.000 0.000
Ti 0.500 0.500 0.000
Tl 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: NaTmTi2O6.
The XRD pattern shows main peaks at: 16.1°(0.1), 19.9°(0.46), 20.6°(0.6), 23.4°(0.09), 26.2°(0.22), 32.5°(0.17), 33.4°(1.0), 34.0°(0.23), 34.7°(0.12), 36.8°(0.12), 39.7°(0.25), 41.8°(0.11), 44.2°(0.12), 47.8°(0.22), 48.1°(0.17), 49.4°(0.14), 53.0°(0.09), 54.3°(0.17), 60.5°(0.24), 70.... | JVASP-112660 | 5.27 5.51 7.56
90 90 90
Na 0.494 0.713 0.500
Na 0.994 0.287 0.000
Tm 0.018 0.175 0.500
Tm 0.518 0.825 0.000
Ti 0.511 0.265 0.752
Ti 0.011 0.735 0.252
Ti 0.511 0.265 0.248
Ti 0.011 0.735 0.748
O 0.610 0.279 0.500
O 0.918 0.777 0.500
O 0.283 0.961 0.707
O 0.186 0.440 0.306
O 0.686 0.560 0.194
O 0.283 0.961 0.293
O 0.686 ... |
Below is a description of a material. | The chemical formula is: SmZnSn.
The XRD pattern shows main peaks at: 22.6°(0.06), 28.1°(0.15), 31.7°(1.0), 39.7°(0.59), 51.7°(0.25), 67.1°(0.24), 72.1°(0.11), 85.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86895 | 4.54 4.54 16.25
90 90 119
Sm 0.000 0.000 0.500
Sm 0.000 0.000 0.000
Sm 0.000 0.000 0.750
Sm 0.000 0.000 0.250
Zn 0.333 0.667 0.160
Zn 0.667 0.333 0.660
Zn 0.667 0.333 0.840
Zn 0.333 0.667 0.340
Sn 0.667 0.333 0.386
Sn 0.667 0.333 0.114
Sn 0.333 0.667 0.886
Sn 0.333 0.667 0.614 |
Below is a description of a material. | The chemical formula is: Yb3Ge4Pd4.
The XRD pattern shows main peaks at: 27.9°(0.12), 33.7°(1.0), 34.8°(0.31), 36.0°(0.98), 38.5°(0.27), 39.1°(0.27), 42.8°(0.41), 43.2°(0.42), 45.8°(0.09), 46.9°(0.18), 51.3°(0.1), 56.6°(0.2), 57.7°(0.1), 59.4°(0.11), 62.5°(0.26), 64.6°(0.1), 69.2°(0.07), 73.2°(0.11), 74.5°(0.11), 75.6°... | JVASP-151142 | 8.06 8.06 8.06
149 127 61
Yb 0.373 0.873 0.500
Yb 0.627 0.127 0.500
Yb 0.000 0.000 0.000
Ge 0.220 0.220 -0.000
Ge 0.780 0.780 0.000
Ge 0.678 0.500 0.178
Ge 0.322 0.500 0.822
Pd 0.627 0.326 0.301
Pd 0.025 0.326 0.699
Pd 0.975 0.674 0.301
Pd 0.373 0.674 0.699 |
Below is a description of a material. | The chemical formula is: CoPb3.
The XRD pattern shows main peaks at: 18.9°(0.14), 26.9°(0.11), 33.1°(1.0), 38.4°(0.5), 43.1°(0.07), 47.4°(0.05), 55.4°(0.36), 66.0°(0.46), 69.4°(0.12), 82.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126374 | 4.69 4.69 4.69
90 90 90
Co 0.000 0.500 0.000
Pb 0.000 0.000 0.500
Pb 0.500 0.500 0.500
Pb 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cr4CuO12.
The XRD pattern shows main peaks at: 13.8°(0.11), 16.5°(0.16), 18.8°(0.54), 20.1°(0.47), 24.0°(0.33), 26.1°(0.69), 28.7°(1.0), 29.4°(0.16), 30.4°(0.58), 32.0°(0.2), 33.3°(0.46), 35.9°(0.27), 46.0°(0.2), 46.7°(0.11), 52.1°(0.19), 53.2°(0.1), 55.6°(0.15), 66.5°(0.15), 67.3°(0.11), 73.2°... | JVASP-48356 | 6.67 6.67 5.75
74 105 96
Cr 0.200 0.608 0.761
Cr 0.391 0.796 0.271
Cr 0.608 0.200 0.739
Cr 0.796 0.391 0.229
Cu 0.919 0.919 0.250
O 0.779 0.024 0.880
O 0.654 0.354 0.454
O 0.626 0.907 0.312
O 0.630 0.358 0.948
O 0.354 0.654 0.046
O 0.358 0.630 0.552
O 0.907 0.626 0.188
O 0.216 0.966 0.193
O 0.090 0.379 0.806
O 0.024 0.... |
Below is a description of a material. | The chemical formula is: LiOs2W.
The XRD pattern shows main peaks at: 15.8°(0.38), 21.5°(0.93), 32.0°(0.59), 34.3°(0.3), 39.2°(1.0), 40.6°(0.45), 45.4°(0.49), 51.4°(0.65), 52.6°(0.3), 53.2°(0.33), 54.2°(0.17), 69.1°(0.28), 70.0°(0.09), 73.0°(0.17), 77.3°(0.11), 79.0°(0.09), 81.9°(0.17), 84.2°(0.12), 87.4°(0.17), 88.0°(... | JVASP-76800 | 11.20 6.17 6.17
42 24 24
Li 0.000 0.000 0.000
Os 0.719 0.000 0.000
Os 0.281 -0.000 -0.000
W 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaBC.
The XRD pattern shows main peaks at: 21.7°(0.15), 35.1°(0.34), 41.6°(1.0), 44.1°(0.18), 57.6°(0.16), 62.9°(0.16), 67.4°(0.06), 78.3°(0.12), 80.0°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99516 | 2.95 2.95 8.21
90 90 120
Ca 0.000 0.000 0.500
Ca 0.000 0.000 0.000
B 0.333 0.667 0.750
B 0.667 0.333 0.250
C 0.333 0.667 0.250
C 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: ThGePd.
The XRD pattern shows main peaks at: 23.3°(0.5), 27.0°(0.27), 38.5°(1.0), 45.5°(0.26), 47.7°(0.07), 55.6°(0.18), 61.1°(0.11), 62.9°(0.11), 69.7°(0.35), 74.6°(0.08), 82.6°(0.1), 87.2°(0.08), 88.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-156359 | 4.67 4.67 4.67
60 60 60
Th 0.750 0.750 0.750
Ge 0.250 0.250 0.250
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tm2Pt.
The XRD pattern shows main peaks at: 30.9°(0.73), 31.8°(0.29), 32.8°(0.19), 33.5°(1.0), 36.6°(0.63), 38.4°(0.59), 39.9°(0.13), 40.5°(0.12), 41.8°(0.14), 44.0°(0.18), 44.5°(0.22), 45.0°(0.24), 51.4°(0.12), 52.0°(0.1), 56.7°(0.12), 59.8°(0.16), 61.6°(0.13), 66.4°(0.12), 68.3°(0.1), 70.8°(0... | JVASP-169483 | 4.69 7.03 8.64
90 90 90
Tm 0.750 0.644 0.579
Tm 0.750 0.144 0.921
Tm 0.250 0.356 0.421
Tm 0.250 0.856 0.079
Tm 0.750 0.510 0.169
Tm 0.750 0.010 0.331
Tm 0.250 0.490 0.831
Tm 0.250 0.990 0.669
Pt 0.750 0.241 0.595
Pt 0.750 0.741 0.905
Pt 0.250 0.759 0.405
Pt 0.250 0.259 0.095 |
Below is a description of a material. | The chemical formula is: TaSbO2.
The XRD pattern shows main peaks at: 11.1°(0.33), 22.3°(0.57), 31.7°(1.0), 33.6°(0.1), 37.3°(0.08), 42.3°(0.34), 45.4°(0.32), 48.3°(0.33), 55.1°(0.24), 61.4°(0.1), 63.8°(0.09), 66.1°(0.18), 70.7°(0.22), 74.1°(0.11), 79.5°(0.15), 87.1°(0.07), 89.2°(0.06).
Generate atomic structure descri... | JVASP-183410 | 3.02 3.02 7.99
90 90 90
Ta 0.500 0.500 0.440
Sb -0.000 -0.000 0.877
O 0.000 -0.000 0.468
O 0.500 0.500 0.225 |
Below is a description of a material. | The chemical formula is: VPt8.
The XRD pattern shows main peaks at: 39.5°(1.0), 45.8°(0.32), 46.3°(0.16), 66.7°(0.1), 67.2°(0.19), 80.4°(0.25), 81.2°(0.13), 85.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150166 | 6.26 6.26 6.26
95 95 143
V 0.000 0.000 0.000
Pt 0.660 0.340 -0.000
Pt 0.340 0.660 0.000
Pt 0.340 0.340 0.679
Pt 0.660 0.660 0.321
Pt 0.672 -0.000 0.672
Pt 0.328 -0.000 0.328
Pt 0.000 0.328 0.328
Pt 0.000 0.672 0.672 |
Below is a description of a material. | The chemical formula is: Li2CoNi3O8.
The XRD pattern shows main peaks at: 19.1°(1.0), 37.0°(0.44), 38.7°(0.12), 45.0°(0.58), 65.4°(0.18), 65.7°(0.17), 82.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-47619 | 5.71 5.71 5.68
59 120 119
Li 0.876 0.124 0.629
Li 0.124 0.876 0.371
Co 0.500 0.500 0.500
Ni 0.500 0.500 0.000
Ni 0.500 0.000 0.000
Ni 0.000 0.500 -0.000
O 0.735 0.709 0.761
O 0.735 0.265 0.761
O 0.263 0.737 0.789
O 0.291 0.265 0.761
O 0.709 0.735 0.239
O 0.737 0.263 0.211
O 0.265 0.735 0.239
O 0.265 0.291 0.239 |
Below is a description of a material. | The chemical formula is: Cu3Au.
The XRD pattern shows main peaks at: 23.5°(0.33), 33.5°(0.28), 41.3°(1.0), 48.1°(0.49), 54.2°(0.15), 59.9°(0.11), 70.4°(0.29), 75.4°(0.07), 80.2°(0.05), 85.0°(0.36), 89.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20446 | 3.78 3.78 3.78
90 90 90
Cu 0.000 0.500 0.500
Cu 0.500 0.500 0.000
Cu 0.500 0.000 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BiPO4.
The XRD pattern shows main peaks at: 18.8°(0.72), 22.5°(0.97), 24.8°(1.0), 25.4°(0.85), 30.6°(0.91), 31.3°(0.3), 35.7°(0.46), 40.2°(0.82), 41.0°(0.2), 42.3°(0.41), 43.0°(0.22), 44.5°(0.22), 47.4°(0.35), 48.5°(0.2), 51.6°(0.18), 54.5°(0.43), 56.8°(0.17), 61.6°(0.25), 69.8°(0.2), 73.1°(0.1... | JVASP-151101 | 7.19 4.75 4.75
84 90 90
Bi -0.000 0.136 0.862
Bi 0.500 0.864 0.138
P 0.500 0.348 0.655
P 0.000 0.652 0.345
O 0.669 0.194 0.808
O 0.169 0.806 0.192
O 0.331 0.194 0.808
O 0.831 0.806 0.192
O 0.500 0.318 0.333
O -0.000 0.682 0.667
O 0.500 0.669 0.687
O -0.000 0.331 0.313 |
Below is a description of a material. | The chemical formula is: CePt2Au3.
The XRD pattern shows main peaks at: 19.9°(0.2), 32.8°(0.33), 38.5°(1.0), 38.9°(0.65), 40.4°(0.56), 46.8°(0.1), 62.2°(0.28), 63.0°(0.16), 68.1°(0.09), 68.9°(0.39), 82.7°(0.13), 83.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99661 | 5.45 5.45 5.45
119 119 90
Ce 0.007 0.007 0.000
Pt 0.124 0.374 0.751
Pt 0.623 0.374 0.249
Au 0.623 0.872 0.249
Au 0.623 0.374 0.751
Au 0.249 0.749 0.500 |
Below is a description of a material. | The chemical formula is: MnVSiOs.
The XRD pattern shows main peaks at: 26.4°(0.42), 30.6°(0.36), 43.9°(1.0), 51.9°(0.21), 54.4°(0.09), 63.8°(0.16), 72.4°(0.07), 80.6°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189175 | 4.13 4.13 4.13
60 60 60
Si -0.000 -0.000 -0.000
Mn 0.750 0.750 0.750
Os 0.250 0.250 0.250
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Tm2OsPd.
The XRD pattern shows main peaks at: 37.5°(1.0), 54.1°(0.17), 67.7°(0.32), 80.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41515 | 4.80 4.80 4.80
60 60 60
Tm 0.500 0.500 0.500
Tm 0.000 0.000 0.000
Os 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ErCd.
The XRD pattern shows main peaks at: 34.4°(1.0), 49.5°(0.19), 61.7°(0.39), 72.6°(0.12), 82.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19871 | 3.68 3.68 3.68
90 90 90
Er 0.500 0.500 0.500
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CdGaRh2.
The XRD pattern shows main peaks at: 32.3°(0.09), 40.4°(1.0), 41.8°(0.5), 56.2°(0.08), 60.5°(0.16), 72.4°(0.14), 75.3°(0.33), 87.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190868 | 3.06 3.06 6.55
90 90 90
Rh -0.000 -0.000 0.781
Rh 0.000 0.000 0.219
Ga 0.500 0.500 0.000
Cd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Be2ZnRu.
The XRD pattern shows main peaks at: 29.3°(1.0), 43.4°(0.33), 44.9°(0.91), 55.8°(0.19), 64.3°(0.23), 73.2°(0.13), 74.3°(0.16), 82.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69521 | 4.67 4.67 4.67
138 138 59
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Zn 0.750 0.250 0.500
Ru 0.500 0.500 0.000 |
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