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: MgSb2O4.
The XRD pattern shows main peaks at: 15.8°(0.22), 17.3°(0.14), 19.6°(0.08), 27.4°(0.5), 28.7°(0.36), 30.6°(1.0), 32.0°(0.18), 32.9°(0.82), 43.5°(0.19), 47.6°(0.15), 49.3°(0.16), 51.3°(0.14), 52.0°(0.28), 53.6°(0.14), 56.5°(0.43), 59.3°(0.1), 59.8°(0.07), 62.4°(0.19).
Generate atomic st... | JVASP-10022 | 6.55 6.55 7.12
57 57 56
Mg 0.125 0.625 0.625
Mg 0.625 0.125 0.625
Sb 0.976 0.976 0.024
Sb 0.274 0.274 0.226
Sb 0.625 0.625 0.125
Sb 0.625 0.625 0.625
O 0.379 0.379 0.422
O 0.369 0.874 0.378
O 0.379 0.379 0.820
O 0.874 0.369 0.378
O 0.376 0.881 0.872
O 0.881 0.376 0.872
O 0.871 0.871 0.430
O 0.871 0.871 0.828 |
Below is a description of a material. | The chemical formula is: TlCuSe2.
The XRD pattern shows main peaks at: 16.6°(0.12), 25.9°(1.0), 26.9°(0.13), 30.0°(0.06), 34.5°(0.15), 42.9°(0.53), 50.9°(0.28), 62.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17285 | 5.95 5.95 7.32
113 113 90
Tl 0.500 0.500 0.000
Tl 0.750 0.250 0.500
Cu 0.000 0.000 0.000
Cu 0.250 0.750 0.500
Se 0.326 0.375 0.250
Se 0.924 0.875 0.250
Se 0.125 0.674 0.750
Se 0.625 0.076 0.750 |
Below is a description of a material. | The chemical formula is: Mn3O5F.
The XRD pattern shows main peaks at: 28.1°(1.0), 37.0°(0.67), 40.2°(0.11), 42.3°(0.17), 55.8°(0.5), 58.0°(0.12), 58.4°(0.1), 64.5°(0.1), 65.9°(0.06), 71.0°(0.2), 71.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42530 | 5.32 5.34 6.99
71 71 72
Mn 0.649 0.666 0.844
Mn 0.361 0.317 0.670
Mn 0.649 0.657 0.333
Mn 0.332 0.332 0.162
Mn 0.007 0.026 0.500
Mn 0.997 0.007 0.989
O 0.694 0.305 0.001
O 0.298 0.699 0.000
O 0.647 0.022 0.667
O 0.968 0.368 0.327
O 0.431 0.432 0.370
O 0.236 0.231 0.960
O 0.108 0.106 0.701
O 0.569 0.563 0.633
O 0.362 0.... |
Below is a description of a material. | The chemical formula is: PaRh3.
The XRD pattern shows main peaks at: 21.9°(0.15), 31.2°(0.12), 38.4°(1.0), 44.7°(0.47), 50.3°(0.07), 55.5°(0.05), 65.0°(0.33), 78.1°(0.38), 82.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126585 | 4.06 4.06 4.06
90 90 90
Pa 0.000 0.500 0.000
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrCd2Ag2.
The XRD pattern shows main peaks at: 13.8°(0.09), 21.2°(0.16), 29.1°(0.29), 31.8°(1.0), 40.3°(0.44), 40.7°(0.88), 42.4°(0.07), 50.8°(0.13), 51.9°(0.05), 57.7°(0.06), 58.9°(0.38), 60.2°(0.08), 68.5°(0.2), 73.0°(0.12), 73.8°(0.14), 88.1°(0.12).
Generate atomic structure description with... | JVASP-180868 | 7.12 7.12 7.12
143 143 52
Sr 0.000 0.000 0.000
Cd 0.250 0.750 0.500
Cd 0.750 0.250 0.500
Ag 0.606 0.606 0.000
Ag 0.394 0.394 -0.000 |
Below is a description of a material. | The chemical formula is: Fe12As5.
The XRD pattern shows main peaks at: 38.0°(0.27), 41.3°(0.25), 42.5°(0.35), 42.9°(1.0), 46.7°(0.7), 47.5°(0.21), 50.3°(0.12), 69.6°(0.06), 81.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-59538 | 6.66 6.66 6.66
60 60 60
Fe 0.118 0.590 0.354
Fe 0.858 0.077 0.370
Fe 0.631 0.850 0.339
Fe 0.850 0.339 0.631
Fe 0.854 0.854 0.854
Fe 0.470 0.470 0.470
Fe 0.339 0.631 0.850
Fe 0.370 0.858 0.077
Fe 0.077 0.370 0.858
Fe 0.354 0.118 0.590
Fe 0.590 0.354 0.118
Fe 0.238 0.238 0.238
As 0.710 0.710 0.710
As 0.203 0.854 0.506
As... |
Below is a description of a material. | The chemical formula is: CdAsBr.
The XRD pattern shows main peaks at: 10.6°(0.12), 29.0°(1.0), 32.0°(0.35), 41.4°(0.35), 43.7°(0.59), 53.3°(0.34), 60.0°(0.11), 68.0°(0.16), 69.7°(0.15), 77.2°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135639 | 3.08 3.08 8.38
90 90 90
Cd 0.000 0.000 0.004
As 0.000 0.000 0.324
Br 0.000 0.000 0.678 |
Below is a description of a material. | The chemical formula is: CaYMn2O6.
The XRD pattern shows main peaks at: 20.1°(0.09), 20.5°(0.11), 26.3°(0.11), 32.7°(0.22), 33.5°(1.0), 33.9°(0.27), 34.9°(0.06), 39.7°(0.07), 43.3°(0.05), 47.9°(0.3), 48.5°(0.2), 49.4°(0.1), 54.6°(0.1), 59.0°(0.11), 59.7°(0.1), 60.5°(0.36), 70.5°(0.15).
Generate atomic structure descrip... | JVASP-129781 | 5.29 5.47 7.51
90 89 90
Ca 0.511 0.552 0.250
Ca 0.011 0.948 0.750
Y 0.985 0.063 0.250
Y 0.485 0.437 0.750
Mn 0.499 0.996 0.500
Mn 0.499 0.996 0.000
Mn -0.001 0.504 -0.000
Mn -0.001 0.504 0.500
O 0.208 0.210 0.544
O 0.708 0.290 0.456
O 0.802 0.800 0.452
O 0.302 0.700 0.548
O 0.302 0.700 0.952
O 0.905 0.522 0.750
O 0.581... |
Below is a description of a material. | The chemical formula is: HoAg.
The XRD pattern shows main peaks at: 35.4°(1.0), 50.9°(0.18), 63.5°(0.37), 74.8°(0.12), 85.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15056 | 3.59 3.59 3.59
90 90 90
Ho 0.500 0.500 0.500
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ThMn4Al8.
The XRD pattern shows main peaks at: 14.1°(0.83), 20.5°(0.83), 28.5°(0.55), 28.8°(0.99), 32.0°(0.4), 35.4°(0.57), 39.0°(0.16), 41.0°(1.0), 41.7°(0.98), 43.3°(0.13), 49.0°(0.27), 55.0°(0.23), 59.1°(0.18), 59.7°(0.39), 60.6°(0.13), 66.9°(0.2), 68.3°(0.21), 73.0°(0.13), 74.3°(0.21), 74.8... | JVASP-153223 | 6.74 6.74 6.74
97 97 136
Th 0.000 0.000 0.000
Mn 0.500 -0.000 0.000
Mn -0.000 0.500 -0.000
Mn 0.000 0.000 0.500
Mn 0.500 0.500 0.500
Al 0.346 -0.000 0.346
Al 0.654 -0.000 0.654
Al 0.000 0.654 0.654
Al 0.000 0.346 0.346
Al 0.277 0.500 0.777
Al 0.723 0.500 0.223
Al 0.500 0.723 0.223
Al 0.500 0.277 0.777 |
Below is a description of a material. | The chemical formula is: NaTiO2.
The XRD pattern shows main peaks at: 16.0°(0.68), 30.5°(0.12), 32.3°(0.58), 34.7°(1.0), 43.7°(0.84), 46.9°(0.12), 55.4°(0.42), 59.1°(0.48), 63.6°(0.25), 73.1°(0.16), 74.5°(0.2), 76.0°(0.07), 84.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-139627 | 2.93 2.93 5.54
90 90 90
Na 0.000 0.000 0.301
Ti 0.500 0.500 0.829
O 0.000 0.000 0.725
O 0.500 0.500 0.146 |
Below is a description of a material. | The chemical formula is: SiNi3.
The XRD pattern shows main peaks at: 25.4°(0.09), 36.3°(0.08), 44.9°(1.0), 52.3°(0.5), 77.1°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126338 | 3.50 3.50 3.50
90 90 90
Si 0.000 0.000 0.000
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NaBiS2.
The XRD pattern shows main peaks at: 13.1°(0.84), 25.7°(0.53), 26.5°(0.14), 26.9°(0.4), 31.0°(1.0), 33.8°(0.28), 40.4°(0.18), 44.2°(0.35), 44.7°(0.36), 46.8°(0.25), 52.2°(0.05), 54.5°(0.07), 55.4°(0.19), 64.6°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-101704 | 7.13 7.13 7.13
33 33 33
Na 0.500 0.500 0.500
Bi 0.000 0.000 0.000
S 0.252 0.252 0.252
S 0.748 0.748 0.748 |
Below is a description of a material. | The chemical formula is: BaTiB2O6.
The XRD pattern shows main peaks at: 16.2°(0.06), 20.9°(0.18), 22.9°(0.67), 29.8°(1.0), 34.1°(0.19), 35.3°(0.32), 39.1°(0.16), 41.4°(0.19), 42.5°(0.26), 46.9°(0.09), 49.0°(0.46), 56.4°(0.17), 60.0°(0.19), 61.9°(0.08), 71.9°(0.05), 73.3°(0.1), 74.7°(0.05), 82.4°(0.09).
Generate atomic ... | JVASP-62644 | 6.19 6.19 6.19
48 48 48
Ba 0.000 0.000 0.000
Ti 0.500 0.500 0.500
B 0.765 0.765 0.765
B 0.235 0.235 0.235
O 0.651 0.072 0.566
O 0.566 0.651 0.072
O 0.072 0.566 0.651
O 0.349 0.928 0.434
O 0.434 0.349 0.928
O 0.928 0.434 0.349 |
Below is a description of a material. | The chemical formula is: Ba3Tl.
The XRD pattern shows main peaks at: 27.7°(1.0), 32.0°(0.34), 46.0°(0.25), 54.4°(0.31), 54.8°(0.15), 57.2°(0.13), 74.1°(0.12), 76.1°(0.08), 85.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183619 | 5.60 5.60 6.82
114 114 90
Ba 0.250 0.750 0.500
Ba 0.750 0.250 0.500
Ba 0.500 0.500 0.000
Tl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Er3AlN.
The XRD pattern shows main peaks at: 18.9°(0.26), 26.8°(0.15), 33.0°(1.0), 38.3°(0.56), 43.0°(0.12), 47.4°(0.07), 55.3°(0.37), 58.9°(0.06), 65.9°(0.42), 69.2°(0.12), 82.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35649 | 4.70 4.70 4.70
90 90 90
Er 0.500 0.500 0.000
Er 0.500 0.000 0.500
Er 0.000 0.500 0.500
Al 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ti3Ga.
The XRD pattern shows main peaks at: 36.7°(0.24), 38.8°(0.3), 41.7°(1.0), 54.4°(0.16), 66.0°(0.17), 72.2°(0.18), 79.3°(0.17), 81.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18711 | 5.66 5.66 4.64
90 90 120
Ti 0.660 0.830 0.750
Ti 0.830 0.660 0.250
Ti 0.340 0.170 0.250
Ti 0.170 0.340 0.750
Ti 0.170 0.830 0.750
Ti 0.830 0.170 0.250
Ga 0.667 0.333 0.750
Ga 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: AcGaTe2.
The XRD pattern shows main peaks at: 19.2°(0.16), 31.7°(1.0), 37.3°(0.1), 45.4°(0.19), 56.4°(0.41), 66.1°(0.11), 75.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41744 | 5.65 5.65 5.65
60 60 60
Ac 0.250 0.250 0.250
Ga 0.750 0.750 0.750
Te 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiCoSnO4.
The XRD pattern shows main peaks at: 17.6°(0.41), 18.5°(1.0), 21.2°(0.08), 34.2°(0.49), 35.6°(0.37), 37.6°(0.18), 42.4°(0.45), 43.1°(0.24), 46.2°(0.18), 48.1°(0.08), 56.9°(0.13), 58.9°(0.09), 62.0°(0.32), 63.9°(0.07), 75.7°(0.07), 80.2°(0.07).
Generate atomic structure description wit... | JVASP-47609 | 6.00 6.00 6.00
88 116 58
Li 0.750 0.120 0.630
Li 0.250 0.880 0.370
Co 0.500 0.000 -0.000
Co 0.000 0.500 -0.000
Sn 0.500 0.500 -0.000
Sn 0.000 0.500 0.500
O 0.541 0.746 0.795
O 0.959 0.746 0.212
O 0.989 0.278 0.233
O 0.511 0.756 0.233
O 0.489 0.244 0.767
O 0.011 0.722 0.767
O 0.041 0.254 0.788
O 0.459 0.254 0.205 |
Below is a description of a material. | The chemical formula is: VHgO3.
The XRD pattern shows main peaks at: 23.2°(0.36), 33.0°(1.0), 40.7°(0.27), 47.4°(0.28), 53.4°(0.18), 58.9°(0.35), 69.2°(0.16), 74.1°(0.1), 78.9°(0.16), 83.6°(0.09), 88.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36635 | 3.84 3.84 3.84
90 90 90
V 0.500 0.500 0.500
Hg 0.000 0.000 0.000
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: Na2AgO2.
The XRD pattern shows main peaks at: 17.6°(0.3), 21.6°(1.0), 28.5°(0.22), 33.3°(0.43), 33.7°(0.43), 35.7°(0.08), 38.3°(0.88), 40.1°(0.3), 49.9°(0.43), 54.7°(0.12), 55.8°(0.1), 56.6°(0.33), 60.5°(0.11), 65.8°(0.11), 66.5°(0.11), 68.6°(0.12), 70.0°(0.07), 70.9°(0.09), 80.0°(0.07), 82.0°(... | JVASP-180899 | 5.75 5.75 5.75
146 133 57
Na 0.190 0.690 0.500
Na 0.810 0.310 0.500
Ag 0.500 -0.000 0.500
O 0.359 0.359 -0.000
O 0.641 0.641 0.000 |
Below is a description of a material. | The chemical formula is: Zn5Cu3.
The XRD pattern shows main peaks at: 42.8°(1.0), 62.0°(0.1), 78.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188638 | 2.99 2.99 11.94
90 90 90
Cu -0.000 -0.000 0.500
Cu 0.500 0.500 0.121
Cu 0.500 0.500 0.879
Zn -0.000 -0.000 0.000
Zn 0.000 -0.000 0.242
Zn -0.000 0.000 0.758
Zn 0.500 0.500 0.379
Zn 0.500 0.500 0.621 |
Below is a description of a material. | The chemical formula is: Zr3Cu4Si2.
The XRD pattern shows main peaks at: 32.3°(0.14), 36.0°(1.0), 39.6°(0.87), 43.2°(0.42), 45.5°(0.31), 49.2°(0.21), 60.2°(0.09), 64.5°(0.25), 65.0°(0.19), 69.3°(0.12), 77.8°(0.1), 78.5°(0.08), 79.0°(0.21), 80.0°(0.09).
Generate atomic structure description with lattice lengths, angles,... | JVASP-15992 | 6.40 6.40 3.99
90 90 119
Zr 0.410 0.410 0.500
Zr 0.590 -0.000 0.500
Zr -0.000 0.590 0.500
Cu 0.000 0.000 0.500
Cu 0.000 0.247 0.000
Cu 0.247 0.000 0.000
Cu 0.753 0.753 0.000
Si 0.667 0.333 0.000
Si 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: PPbS3.
The XRD pattern shows main peaks at: 17.7°(0.47), 18.8°(0.46), 19.9°(0.35), 20.3°(0.5), 25.6°(1.0), 26.3°(0.34), 30.5°(0.2), 31.0°(0.17), 32.2°(0.24), 33.3°(0.53), 34.1°(0.22), 37.0°(0.37), 37.4°(0.5), 38.2°(0.23), 38.5°(0.15), 39.8°(0.18), 42.9°(0.15), 43.5°(0.12), 45.9°(0.16), 47.0°(0.... | JVASP-162316 | 6.72 7.48 9.43
90 91 90
P 0.837 0.139 0.713
P 0.337 0.861 0.213
P 0.712 0.361 0.845
P 0.212 0.639 0.345
Pb 0.738 0.635 0.526
Pb 0.311 0.135 0.531
Pb 0.811 0.865 0.031
Pb 0.238 0.365 0.026
S 0.957 0.553 0.241
S 0.929 0.554 0.836
S 0.429 0.446 0.336
S 0.092 0.053 0.817
S 0.879 0.244 0.517
S 0.379 0.756 0.017
S 0.621 0.94... |
Below is a description of a material. | The chemical formula is: Li2CoCuO4.
The XRD pattern shows main peaks at: 24.7°(1.0), 38.4°(0.22), 39.2°(0.16), 42.9°(0.25), 45.5°(0.44), 52.5°(0.21), 59.5°(0.1), 64.3°(0.24), 66.3°(0.12), 82.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-140529 | 3.98 7.58 5.07
104 113 74
Li 0.751 0.875 0.376
Li 0.751 0.375 0.876
Li 0.499 0.750 0.749
Li 0.499 0.250 0.249
Co 0.000 0.500 0.500
Co 0.000 -0.000 0.000
Cu 0.250 0.125 0.624
Cu 0.250 0.625 0.124
O 0.016 0.242 0.273
O 0.016 0.742 0.773
O 0.484 0.008 0.975
O 0.484 0.508 0.475
O 0.226 0.887 0.339
O 0.226 0.387 0.838
O 0.7... |
Below is a description of a material. | The chemical formula is: C2N.
The XRD pattern shows main peaks at: 13.9°(1.0), 16.8°(0.52), 21.9°(0.33), 28.1°(0.28), 31.5°(0.22), 32.9°(0.16), 35.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135290 | 5.29 6.35 3.18
90 90 90
C 0.154 0.021 0.000
C 0.846 0.021 0.000
N 0.000 0.230 0.000 |
Below is a description of a material. | The chemical formula is: In5Bi3.
The XRD pattern shows main peaks at: 19.8°(0.08), 24.6°(0.06), 26.2°(0.1), 30.1°(0.09), 30.9°(1.0), 33.7°(0.59), 39.8°(0.08), 43.2°(0.16), 43.6°(0.07), 48.4°(0.09), 49.0°(0.08), 53.1°(0.08), 55.8°(0.06), 60.0°(0.12), 62.5°(0.09), 62.9°(0.19), 66.7°(0.08), 88.5°(0.07).
Generate atomic st... | JVASP-154714 | 9.03 9.03 9.03
124 124 82
In 0.000 0.000 0.000
In 0.500 0.500 0.000
In 0.815 0.315 0.798
In 0.517 0.017 0.202
In 0.315 0.517 0.500
In 0.017 0.815 0.500
In 0.983 0.185 0.500
In 0.685 0.483 0.500
In 0.483 0.983 0.798
In 0.185 0.685 0.202
Bi 0.250 0.250 0.000
Bi 0.750 0.750 0.000
Bi 0.855 0.355 0.210
Bi 0.145 0.645 0.790
... |
Below is a description of a material. | The chemical formula is: Ba2YFe3O8.
The XRD pattern shows main peaks at: 22.7°(0.09), 32.4°(1.0), 39.9°(0.13), 46.4°(0.2), 57.7°(0.24), 67.8°(0.06), 77.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-145568 | 3.91 3.91 11.74
90 90 90
Ba 0.500 0.500 0.169
Ba 0.500 0.500 0.831
Y 0.500 0.500 0.500
Fe 0.000 0.000 0.345
Fe 0.000 0.000 0.000
Fe 0.000 0.000 0.655
O 0.000 0.500 0.380
O 0.500 0.000 0.380
O 0.500 0.000 0.000
O 0.000 0.000 0.185
O 0.000 0.500 0.620
O 0.500 0.000 0.620
O 0.000 0.000 0.815
O 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ce2MgZn.
The XRD pattern shows main peaks at: 12.5°(0.21), 23.3°(0.36), 25.2°(0.11), 33.2°(0.62), 34.6°(1.0), 35.6°(0.07), 42.1°(0.12), 45.2°(0.14), 47.6°(0.22), 51.7°(0.05), 53.7°(0.07), 54.6°(0.05), 60.2°(0.39), 62.9°(0.11), 67.8°(0.09), 69.6°(0.06), 73.0°(0.07), 76.0°(0.06), 79.4°(0.09), 80.... | JVASP-108149 | 3.82 3.82 7.07
90 90 90
Ce 0.000 0.000 0.781
Ce 0.000 0.000 0.219
Mg 0.500 0.500 0.500
Zn 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MnSiP2.
The XRD pattern shows main peaks at: 18.3°(0.06), 28.7°(1.0), 46.7°(0.24), 48.3°(0.39), 55.8°(0.27), 58.6°(0.11), 68.2°(0.07), 87.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101064 | 6.47 6.47 6.47
129 129 73
Mn 0.250 0.750 0.500
Mn 0.500 0.500 0.000
Si 0.750 0.250 0.500
Si 0.000 0.000 0.000
P 0.642 0.625 0.517
P 0.108 0.125 0.483
P 0.375 0.892 0.017
P 0.875 0.358 0.983 |
Below is a description of a material. | The chemical formula is: LaGeAu.
The XRD pattern shows main peaks at: 21.9°(0.09), 25.2°(0.3), 31.8°(1.0), 39.8°(0.67), 40.6°(0.13), 44.8°(0.12), 45.9°(0.09), 51.8°(0.27), 61.4°(0.31), 62.0°(0.06), 67.3°(0.23), 72.3°(0.12), 85.8°(0.07), 89.2°(0.12).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-85419 | 4.53 4.53 8.10
90 90 120
La 0.000 0.000 0.008
La 0.000 0.000 0.508
Ge 0.333 0.667 0.786
Ge 0.667 0.333 0.286
Au 0.667 0.333 0.742
Au 0.333 0.667 0.242 |
Below is a description of a material. | The chemical formula is: PaIn3.
The XRD pattern shows main peaks at: 19.1°(0.1), 27.2°(0.09), 33.5°(1.0), 38.8°(0.52), 43.6°(0.05), 56.1°(0.36), 66.9°(0.43), 70.3°(0.12), 83.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173344 | 4.64 4.64 4.64
90 89 89
Pa 0.000 0.000 1.000
In 1.000 0.500 0.500
In 0.500 1.000 0.500
In 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ca2MgAl.
The XRD pattern shows main peaks at: 10.8°(0.1), 21.1°(0.4), 24.8°(0.25), 26.2°(0.8), 29.2°(0.64), 31.9°(0.07), 33.7°(1.0), 38.8°(0.39), 41.6°(0.28), 49.5°(0.17), 51.6°(0.24), 56.9°(0.07), 60.6°(0.09), 66.6°(0.13), 76.2°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-80193 | 18.01 10.14 10.14
24 15 15
Ca 0.489 0.174 0.174
Ca 0.511 0.826 0.826
Mg 0.000 0.000 0.000
Al 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ce3O.
The XRD pattern shows main peaks at: 20.9°(0.25), 29.7°(0.2), 36.6°(1.0), 42.5°(0.47), 47.8°(0.11), 52.7°(0.08), 61.7°(0.32), 65.9°(0.06), 73.9°(0.34), 77.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129101 | 4.25 4.25 4.25
90 90 90
Ce 0.000 0.500 0.500
Ce 0.500 0.000 0.500
Ce 0.500 0.500 0.000
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnFeAs.
The XRD pattern shows main peaks at: 15.1°(0.18), 28.4°(0.08), 30.5°(0.08), 34.0°(0.23), 37.4°(0.45), 39.1°(0.07), 46.3°(1.0), 48.8°(0.53), 53.0°(0.07), 58.7°(0.05), 63.6°(0.05), 69.7°(0.12), 71.5°(0.16), 74.9°(0.06), 83.6°(0.07), 84.1°(0.09), 87.3°(0.06), 89.6°(0.31).
Generate atomic s... | JVASP-93418 | 3.73 3.73 5.85
90 90 90
Mn 0.250 0.250 0.315
Mn 0.750 0.750 0.685
Fe 0.250 0.750 0.000
Fe 0.750 0.250 0.000
As 0.250 0.250 0.746
As 0.750 0.750 0.254 |
Below is a description of a material. | The chemical formula is: Sn2Mo.
The XRD pattern shows main peaks at: 31.1°(0.32), 32.9°(0.6), 34.7°(0.73), 36.5°(0.84), 37.4°(0.48), 42.1°(1.0), 56.8°(0.12), 57.9°(0.12), 59.1°(0.17), 60.3°(0.39), 67.5°(0.34), 79.3°(0.18), 82.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-165104 | 5.55 5.55 14.34
90 90 120
Sn 0.500 0.000 0.397
Sn 0.500 0.500 0.730
Sn -0.000 0.500 0.063
Sn 0.500 0.000 0.603
Sn 0.500 0.500 0.937
Sn -0.000 0.500 0.270
Sn 0.168 0.336 0.500
Sn 0.832 0.168 0.833
Sn 0.336 0.168 0.167
Sn 0.664 0.832 0.167
Sn 0.168 0.832 0.833
Sn 0.832 0.664 0.500
Mo -0.000 0.000 -0.000
Mo -0.000 0.000 0... |
Below is a description of a material. | The chemical formula is: SnI3.
The XRD pattern shows main peaks at: 14.1°(0.11), 16.3°(0.19), 22.2°(0.15), 25.9°(0.59), 28.5°(0.08), 29.7°(0.62), 30.1°(1.0), 38.9°(0.07), 42.8°(0.87), 43.3°(0.18), 53.0°(0.17), 62.6°(0.09), 70.1°(0.09), 70.7°(0.1), 71.3°(0.06).
Generate atomic structure description with lattice lengths,... | JVASP-135202 | 7.35 6.01 11.17
36 56 35
Sn 0.400 -0.072 0.750
I 0.093 -0.296 0.103
I 0.484 0.344 0.750
I 0.740 0.117 0.396 |
Below is a description of a material. | The chemical formula is: CuS.
The XRD pattern shows main peaks at: 29.7°(1.0), 34.5°(0.12), 49.5°(0.56), 58.9°(0.39), 72.7°(0.09), 80.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190606 | 3.68 3.68 3.68
60 60 60
S 0.000 -0.000 -0.000
Cu 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: VZnCo2.
The XRD pattern shows main peaks at: 44.9°(1.0), 65.4°(0.15), 82.9°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168562 | 4.03 4.03 4.03
60 60 60
V 0.250 0.250 0.250
Zn 0.750 0.750 0.750
Co 0.500 0.500 0.500
Co -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: U2SnPt2.
The XRD pattern shows main peaks at: 16.1°(0.14), 32.6°(0.07), 33.7°(0.17), 35.6°(1.0), 36.5°(0.38), 38.7°(0.1), 41.9°(0.05), 46.7°(0.07), 49.0°(0.05), 49.8°(0.15), 54.8°(0.13), 63.4°(0.13), 66.4°(0.06), 70.1°(0.15), 72.0°(0.1).
Generate atomic structure description with lattice length... | JVASP-154808 | 7.78 7.78 7.31
90 90 90
U 0.152 0.152 0.500
U 0.652 0.348 0.000
U 0.348 0.652 0.000
U 0.687 0.313 0.500
U 0.313 0.687 0.500
U 0.813 0.813 0.000
U 0.187 0.187 0.000
U 0.848 0.848 0.500
Sn 0.500 0.000 0.750
Sn 0.500 0.000 0.250
Sn 0.000 0.500 0.750
Sn 0.000 0.500 0.250
Pt 0.632 0.632 0.717
Pt 0.368 0.368 0.717
Pt 0.868 0... |
Below is a description of a material. | The chemical formula is: Ti5Ga4.
The XRD pattern shows main peaks at: 28.1°(0.09), 33.2°(0.09), 38.8°(0.39), 39.7°(0.93), 40.6°(1.0), 51.3°(0.16), 58.1°(0.25), 63.1°(0.08), 69.8°(0.08), 72.7°(0.19), 83.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13119 | 7.86 7.86 5.39
90 90 120
Ti 0.333 0.667 0.000
Ti 0.714 0.000 0.750
Ti -0.000 0.286 0.250
Ti 0.000 0.714 0.750
Ti 0.286 0.286 0.750
Ti 0.714 0.714 0.250
Ti 0.333 0.667 0.500
Ti 0.667 0.333 0.000
Ti 0.667 0.333 0.500
Ti 0.286 -0.000 0.250
Ga 0.378 0.378 0.250
Ga 0.000 0.000 0.000
Ga 0.000 0.000 0.500
Ga 0.622 0.000 0.250... |
Below is a description of a material. | The chemical formula is: Rb2InAuI6.
The XRD pattern shows main peaks at: 15.0°(0.56), 21.3°(0.18), 26.1°(0.48), 30.3°(1.0), 33.9°(0.29), 43.3°(0.75), 51.3°(0.06), 53.8°(0.26), 62.9°(0.11), 71.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106446 | 8.35 8.35 8.35
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
In 0.000 0.000 0.000
Au 0.500 0.500 0.500
I 0.747 0.253 0.253
I 0.253 0.253 0.747
I 0.253 0.747 0.747
I 0.253 0.747 0.253
I 0.747 0.253 0.747
I 0.747 0.747 0.253 |
Below is a description of a material. | The chemical formula is: NiAu3.
The XRD pattern shows main peaks at: 26.3°(0.15), 31.7°(0.05), 36.7°(0.23), 38.3°(0.27), 41.6°(1.0), 54.1°(0.15), 66.1°(0.16), 71.5°(0.18), 79.1°(0.21), 81.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38637 | 5.65 5.65 4.70
90 90 120
Ni 0.667 0.333 0.750
Ni 0.333 0.667 0.250
Au 0.339 0.170 0.250
Au 0.830 0.661 0.250
Au 0.830 0.170 0.250
Au 0.170 0.339 0.750
Au 0.170 0.830 0.750
Au 0.661 0.830 0.750 |
Below is a description of a material. | The chemical formula is: CaMn4Al8.
The XRD pattern shows main peaks at: 20.2°(0.79), 28.7°(0.2), 35.5°(0.27), 41.0°(1.0), 41.7°(1.0), 46.1°(0.48), 46.7°(0.85), 59.3°(0.14), 59.9°(0.13), 67.2°(0.11), 75.1°(0.28), 76.6°(0.1), 88.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-58264 | 4.98 6.71 6.71
82 68 68
Ca 0.000 0.000 0.000
Mn 0.500 0.000 0.500
Mn -0.000 0.500 -0.000
Mn 0.500 0.500 -0.000
Mn -0.000 0.000 0.500
Al 0.338 0.662 0.662
Al -0.000 0.338 0.662
Al 0.000 0.662 0.338
Al 0.662 0.338 0.338
Al 0.277 0.223 0.223
Al 0.500 0.777 0.223
Al 0.500 0.223 0.777
Al 0.723 0.777 0.777 |
Below is a description of a material. | The chemical formula is: ZrCu.
The XRD pattern shows main peaks at: 27.5°(0.1), 34.1°(0.19), 36.2°(1.0), 37.7°(0.39), 40.7°(0.5), 43.9°(0.74), 56.7°(0.24), 59.2°(0.21), 68.8°(0.13), 72.1°(0.14), 74.3°(0.12), 75.6°(0.1), 78.5°(0.07), 80.7°(0.06), 85.3°(0.14).
Generate atomic structure description with lattice lengths, a... | JVASP-79629 | 3.25 4.13 5.51
90 107 90
Zr 0.347 0.250 0.195
Zr 0.653 0.750 0.805
Cu 0.071 0.250 0.642
Cu 0.929 0.750 0.358 |
Below is a description of a material. | The chemical formula is: Fe3Co3Si2.
The XRD pattern shows main peaks at: 27.6°(0.06), 45.8°(1.0), 66.8°(0.14), 84.8°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105512 | 6.87 6.87 6.87
33 33 33
Fe 0.625 0.625 0.625
Fe 0.749 0.749 0.749
Fe 0.251 0.251 0.251
Co 0.376 0.376 0.376
Co 0.874 0.874 0.874
Co 0.125 0.125 0.125
Si 0.999 0.999 0.999
Si 0.501 0.501 0.501 |
Below is a description of a material. | The chemical formula is: Ti2Ge.
The XRD pattern shows main peaks at: 24.9°(0.29), 28.8°(0.26), 41.2°(1.0), 48.8°(0.13), 51.1°(0.07), 59.7°(0.16), 65.7°(0.05), 67.7°(0.08), 75.2°(0.29), 89.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36228 | 4.38 4.38 4.38
60 60 60
Ti 0.000 0.000 0.000
Ti 0.750 0.750 0.750
Ge 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ca2GaCu.
The XRD pattern shows main peaks at: 24.8°(0.08), 35.4°(1.0), 50.9°(0.16), 63.5°(0.31), 74.9°(0.09), 85.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161355 | 5.07 5.07 5.07
60 60 60
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Ga 0.750 0.750 0.750
Cu 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SrCl2.
The XRD pattern shows main peaks at: 22.1°(0.75), 36.4°(1.0), 43.0°(0.4), 52.5°(0.16), 65.6°(0.31), 77.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22527 | 4.93 4.93 4.93
60 60 60
Sr 0.000 0.000 0.000
Cl 0.750 0.750 0.750
Cl 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: MnFe2N2.
The XRD pattern shows main peaks at: 38.7°(1.0), 43.5°(0.24), 46.5°(0.93), 64.3°(0.3), 71.2°(0.22), 77.7°(0.11), 80.9°(0.22), 83.0°(0.15), 87.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103533 | 2.90 2.90 6.24
90 89 119
Mn 0.000 0.000 0.500
Fe 0.667 0.333 0.166
Fe 0.333 0.667 0.834
N 0.667 0.333 0.705
N 0.333 0.667 0.295 |
Below is a description of a material. | The chemical formula is: Ba4LiCo.
The XRD pattern shows main peaks at: 15.3°(0.77), 29.5°(1.0), 30.8°(0.85), 35.7°(0.31), 39.1°(0.22), 47.0°(0.36), 51.4°(0.36), 54.0°(0.18), 60.4°(0.13), 61.2°(0.34), 64.2°(0.08), 66.4°(0.1), 72.2°(0.23), 75.7°(0.06), 83.3°(0.06), 83.9°(0.07), 86.6°(0.05).
Generate atomic structure desc... | JVASP-64497 | 7.11 7.11 7.11
60 60 60
Ba 0.129 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.129 0.624
Ba 0.624 0.624 0.129
Li 0.000 0.000 0.000
Co 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Rb2NbCl6.
The XRD pattern shows main peaks at: 15.4°(0.54), 25.2°(0.91), 29.7°(0.21), 31.0°(0.82), 36.0°(1.0), 44.4°(0.4), 51.8°(0.66), 61.6°(0.23), 64.6°(0.22), 76.2°(0.1), 87.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-55000 | 7.06 7.06 7.06
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Nb 0.000 0.000 0.000
Cl 0.756 0.756 0.244
Cl 0.756 0.244 0.756
Cl 0.244 0.244 0.756
Cl 0.244 0.756 0.756
Cl 0.244 0.756 0.244
Cl 0.756 0.244 0.244 |
Below is a description of a material. | The chemical formula is: LaNdAl6.
The XRD pattern shows main peaks at: 15.4°(0.17), 24.8°(0.96), 26.9°(0.48), 31.2°(0.26), 36.9°(1.0), 39.1°(0.21), 46.3°(0.23), 48.1°(0.2), 50.8°(0.12), 55.5°(0.18), 61.7°(0.21), 68.5°(0.11), 69.4°(0.15), 70.0°(0.17).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-170548 | 4.61 6.62 6.62
120 90 90
La 0.750 0.667 0.333
Nd 0.250 0.333 0.667
Al 0.750 0.140 0.281
Al 0.750 0.140 0.860
Al 0.750 0.719 0.860
Al 0.250 0.861 0.723
Al 0.250 0.861 0.139
Al 0.250 0.277 0.139 |
Below is a description of a material. | The chemical formula is: NaMgBe2.
The XRD pattern shows main peaks at: 11.4°(0.1), 22.9°(0.17), 33.0°(1.0), 34.7°(0.4), 38.8°(0.77), 44.3°(0.45), 47.1°(0.1), 50.4°(0.09), 57.4°(0.35), 64.4°(0.14), 68.6°(0.09), 74.3°(0.16), 75.2°(0.13), 77.2°(0.06), 77.8°(0.17).
Generate atomic structure description with lattice lengths... | JVASP-69523 | 2.89 2.89 7.76
90 90 90
Na 0.500 0.500 0.794
Mg 0.000 0.000 0.434
Be 0.000 0.000 0.086
Be 0.500 0.500 0.187 |
Below is a description of a material. | The chemical formula is: AsCl2.
The XRD pattern shows main peaks at: 21.2°(0.31), 27.5°(0.79), 35.0°(0.2), 37.2°(1.0), 46.9°(0.97), 56.8°(0.09), 67.0°(0.16), 69.9°(0.27), 73.9°(0.24), 79.2°(0.1), 85.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137159 | 4.84 4.84 3.24
90 90 120
As 0.000 0.000 0.000
Cl 0.333 0.667 0.000
Cl 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: K2ErAgCl6.
The XRD pattern shows main peaks at: 16.9°(0.95), 23.9°(1.0), 34.1°(0.83), 38.3°(0.49), 42.1°(0.46), 49.0°(0.54), 61.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101496 | 7.44 7.44 7.44
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Er 0.000 0.000 0.000
Ag 0.500 0.500 0.500
Cl 0.754 0.246 0.246
Cl 0.246 0.246 0.754
Cl 0.246 0.754 0.754
Cl 0.246 0.754 0.246
Cl 0.754 0.246 0.754
Cl 0.754 0.754 0.246 |
Below is a description of a material. | The chemical formula is: TbPd.
The XRD pattern shows main peaks at: 25.9°(0.09), 32.2°(1.0), 34.0°(0.3), 35.1°(0.19), 39.6°(0.37), 40.5°(0.57), 48.9°(0.17), 53.2°(0.17), 53.9°(0.16), 60.9°(0.12), 64.7°(0.19), 66.9°(0.1), 67.3°(0.11), 72.5°(0.11), 75.1°(0.13), 80.7°(0.18), 85.7°(0.07).
Generate atomic structure descript... | JVASP-37070 | 3.72 4.55 5.60
90 70 90
Tb 0.137 0.750 0.725
Tb 0.863 0.250 0.275
Pd 0.412 0.750 0.176
Pd 0.588 0.250 0.824 |
Below is a description of a material. | The chemical formula is: CeAlH2Ir.
The XRD pattern shows main peaks at: 25.8°(0.61), 32.0°(1.0), 40.5°(0.18), 41.1°(0.56), 44.0°(0.16), 49.2°(0.11), 53.1°(0.25), 61.8°(0.35), 69.3°(0.23), 75.0°(0.09), 89.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-151576 | 4.39 4.39 8.24
90 90 120
Ce 0.000 0.000 0.000
Ce 0.000 0.000 0.500
Al 0.667 0.333 0.750
Al 0.333 0.667 0.250
H 0.667 0.333 0.458
H 0.333 0.667 0.958
H 0.333 0.667 0.542
H 0.667 0.333 0.042
Ir 0.667 0.333 0.250
Ir 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: N.
The XRD pattern shows main peaks at: 30.5°(0.91), 31.2°(1.0), 50.3°(0.11), 54.7°(0.13), 60.0°(0.11), 63.6°(0.06), 74.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176860 | 3.53 2.18 5.85
90 146 108
N 0.282 0.601 0.891
N 0.718 0.320 0.109 |
Below is a description of a material. | The chemical formula is: Nd2Ge5Rh3.
The XRD pattern shows main peaks at: 29.3°(0.18), 33.7°(0.98), 34.3°(0.9), 35.4°(0.09), 39.2°(0.17), 42.1°(1.0), 46.6°(0.11), 49.7°(0.27), 54.8°(0.24), 55.1°(0.19), 60.8°(0.19), 61.3°(0.08), 62.9°(0.16), 71.8°(0.17).
Generate atomic structure description with lattice lengths, angles,... | JVASP-144124 | 8.46 8.46 6.10
68 68 91
Nd 0.865 0.598 0.768
Nd 0.402 0.135 0.732
Nd 0.135 0.402 0.232
Nd 0.598 0.865 0.268
Ge 0.223 0.777 0.250
Ge 0.777 0.223 0.750
Ge 0.500 0.500 0.250
Ge 0.500 0.500 0.750
Ge 0.777 0.223 0.250
Ge 0.259 0.061 0.340
Ge 0.939 0.741 0.160
Ge 0.741 0.939 0.660
Ge 0.061 0.259 0.840
Ge 0.223 0.777 0.750
Rh... |
Below is a description of a material. | The chemical formula is: Li3PrSb2.
The XRD pattern shows main peaks at: 12.0°(0.22), 25.4°(1.0), 33.2°(0.57), 39.2°(0.44), 41.2°(0.06), 43.3°(0.24), 47.3°(0.2), 49.5°(0.07), 52.3°(0.16), 54.7°(0.07), 59.8°(0.08), 63.1°(0.17), 64.9°(0.17), 67.2°(0.15), 67.9°(0.07), 71.1°(0.07), 73.9°(0.1).
Generate atomic structure desc... | JVASP-35934 | 4.59 4.59 7.36
90 90 119
Li 0.667 0.333 0.353
Li 0.333 0.667 0.647
Li 0.000 0.000 0.500
Pr 0.000 0.000 0.000
Sb 0.667 0.333 0.742
Sb 0.333 0.667 0.258 |
Below is a description of a material. | The chemical formula is: LaCrO3.
The XRD pattern shows main peaks at: 22.8°(0.17), 32.4°(1.0), 40.0°(0.17), 46.5°(0.28), 52.4°(0.06), 57.8°(0.37), 67.9°(0.13), 77.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154790 | 5.52 5.53 7.80
90 90 90
La 0.968 0.994 0.250
La 0.532 0.494 0.750
La 0.032 0.006 0.750
La 0.468 0.506 0.250
Cr 0.000 0.500 0.000
Cr 0.500 0.000 0.000
Cr 0.000 0.500 0.500
Cr 0.500 0.000 0.500
O 0.215 0.784 0.039
O 0.285 0.284 0.961
O 0.215 0.784 0.461
O 0.285 0.284 0.539
O 0.785 0.216 0.961
O 0.988 0.573 0.750
O 0.012 ... |
Below is a description of a material. | The chemical formula is: Ni4O.
The XRD pattern shows main peaks at: 41.5°(1.0), 48.3°(0.58), 70.7°(0.31), 85.4°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93248 | 3.77 3.77 3.77
90 90 90
Ni 0.000 0.000 0.000
Ni 0.500 0.500 0.000
Ni 0.500 0.000 0.500
Ni 0.000 0.500 0.500
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TmMg2.
The XRD pattern shows main peaks at: 17.1°(0.49), 18.4°(0.26), 19.5°(0.32), 25.2°(0.25), 29.9°(0.89), 32.7°(1.0), 34.7°(0.16), 35.3°(0.83), 35.9°(0.31), 44.9°(0.22), 50.4°(0.22), 53.1°(0.17), 54.9°(0.49), 56.6°(0.2), 59.7°(0.24), 62.1°(0.19), 68.2°(0.18), 72.0°(0.22), 87.5°(0.13), 89.0°(... | JVASP-20437 | 5.98 5.98 9.66
90 90 120
Tm 0.667 0.333 0.064
Tm 0.333 0.667 0.564
Tm 0.333 0.667 0.936
Tm 0.667 0.333 0.436
Mg 0.171 0.342 0.250
Mg 0.342 0.171 0.750
Mg 0.829 0.171 0.750
Mg 0.171 0.829 0.250
Mg 0.000 0.000 0.000
Mg 0.000 0.000 0.500
Mg 0.829 0.658 0.750
Mg 0.658 0.829 0.250 |
Below is a description of a material. | The chemical formula is: ScBiO3.
The XRD pattern shows main peaks at: 21.7°(0.99), 30.6°(1.0), 31.0°(0.85), 37.4°(0.11), 38.2°(0.36), 44.1°(0.42), 49.4°(0.4), 50.0°(0.26), 54.1°(0.19), 55.0°(0.4), 64.7°(0.14), 67.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-50884 | 5.76 5.85 5.76
119 60 119
Sc 0.221 0.662 0.221
Sc 0.721 0.162 0.721
Bi 0.001 0.004 0.001
Bi 0.501 0.504 0.501
O 0.052 0.357 0.429
O 0.552 0.857 0.376
O 0.376 0.857 0.929
O 0.429 0.357 0.876
O 0.876 0.357 0.052
O 0.929 0.857 0.552 |
Below is a description of a material. | The chemical formula is: YThRe4.
The XRD pattern shows main peaks at: 9.7°(0.09), 18.9°(0.09), 21.3°(0.1), 33.0°(0.21), 35.1°(0.62), 38.6°(1.0), 39.6°(0.97), 43.3°(0.25), 44.1°(0.11), 62.7°(0.24), 64.6°(0.32), 69.3°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176367 | 5.42 5.42 9.13
90 90 59
Y 0.667 0.667 0.063
Y 0.333 0.333 0.937
Th 0.333 0.333 0.561
Th 0.667 0.667 0.439
Re 0.000 0.000 0.500
Re 0.000 0.000 0.000
Re 0.830 0.341 0.759
Re 0.341 0.830 0.759
Re 0.830 0.830 0.759
Re 0.170 0.659 0.241
Re 0.659 0.170 0.241
Re 0.170 0.170 0.241 |
Below is a description of a material. | The chemical formula is: DySi3Ir.
The XRD pattern shows main peaks at: 18.1°(0.22), 23.0°(0.46), 30.0°(0.62), 34.7°(1.0), 35.2°(0.42), 42.9°(0.45), 46.9°(0.08), 48.0°(0.1), 49.2°(0.14), 51.4°(0.18), 56.3°(0.54), 62.3°(0.15), 65.1°(0.16), 69.1°(0.16), 70.6°(0.1), 73.3°(0.19), 88.9°(0.19).
Generate atomic structure descr... | JVASP-92703 | 4.22 4.22 5.74
111 111 90
Dy 0.003 0.003 0.005
Si 0.418 0.418 0.837
Si 0.769 0.269 0.538
Si 0.269 0.769 0.538
Ir 0.656 0.656 0.313 |
Below is a description of a material. | The chemical formula is: Ho2CoSi2.
The XRD pattern shows main peaks at: 23.7°(0.64), 26.3°(0.24), 27.3°(0.43), 27.8°(0.1), 28.1°(0.16), 34.2°(0.57), 34.6°(1.0), 35.1°(0.66), 35.9°(0.17), 37.8°(0.41), 39.9°(0.14), 41.6°(0.25), 42.4°(0.33), 43.9°(0.42), 52.5°(0.17), 55.5°(0.13), 57.3°(0.31), 58.4°(0.21), 62.1°(0.15), 67.... | JVASP-104642 | 5.56 5.56 9.94
63 63 43
Ho 0.000 0.000 0.328
Ho -0.000 -0.000 0.672
Ho 0.814 0.814 0.106
Ho 0.186 0.186 0.894
Co 0.727 0.727 0.624
Co 0.273 0.273 0.376
Si 0.652 0.652 0.433
Si 0.348 0.348 0.567
Si 0.507 0.507 0.126
Si 0.493 0.493 0.874 |
Below is a description of a material. | The chemical formula is: KSnI3.
The XRD pattern shows main peaks at: 10.2°(0.28), 13.5°(0.1), 23.4°(0.54), 26.2°(0.28), 26.6°(0.41), 27.3°(0.5), 28.1°(1.0), 30.4°(0.2), 31.4°(0.12), 32.3°(0.4), 38.7°(0.35), 41.0°(0.07), 41.4°(0.09), 42.0°(0.26), 43.7°(0.07), 45.8°(0.1), 48.0°(0.25), 56.1°(0.11), 58.0°(0.07), 63.7°(0.1)... | JVASP-171055 | 4.65 10.11 17.24
90 90 90
K 0.750 0.117 0.689
K 0.250 0.883 0.311
K 0.750 0.617 0.811
K 0.250 0.383 0.189
Sn 0.250 0.180 0.949
Sn 0.750 0.820 0.051
Sn 0.250 0.680 0.551
Sn 0.750 0.320 0.449
I 0.750 0.345 0.030
I 0.250 0.655 0.970
I 0.750 0.845 0.470
I 0.250 0.155 0.530
I 0.250 0.012 0.117
I 0.750 0.988 0.883
I 0.250 0.... |
Below is a description of a material. | The chemical formula is: Ti5Se4.
The XRD pattern shows main peaks at: 12.9°(0.19), 18.3°(0.11), 26.0°(0.36), 29.1°(0.17), 32.9°(0.64), 37.1°(0.06), 37.9°(1.0), 39.4°(0.21), 41.6°(0.46), 42.4°(0.18), 46.5°(0.67), 47.8°(0.12), 52.3°(0.25), 55.2°(0.24), 60.3°(0.06), 68.4°(0.12), 69.0°(0.19), 76.5°(0.18), 82.4°(0.08).
Gene... | JVASP-16651 | 3.50 7.08 7.08
86 75 75
Ti 0.000 0.000 0.000
Ti 0.307 0.065 0.321
Ti 0.628 0.679 0.065
Ti 0.372 0.321 0.935
Ti 0.693 0.935 0.679
Se 0.057 0.216 0.670
Se 0.727 0.330 0.216
Se 0.273 0.670 0.784
Se 0.943 0.784 0.330 |
Below is a description of a material. | The chemical formula is: ErLuZn2.
The XRD pattern shows main peaks at: 25.5°(0.21), 36.4°(1.0), 45.0°(0.06), 52.4°(0.18), 59.1°(0.05), 65.5°(0.33), 77.3°(0.1), 88.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102937 | 4.94 4.94 4.94
60 60 60
Er 0.500 0.500 0.500
Lu 0.000 0.000 0.000
Zn 0.250 0.250 0.250
Zn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: UB2O6.
The XRD pattern shows main peaks at: 16.7°(0.8), 18.2°(0.61), 20.4°(1.0), 23.1°(0.96), 26.8°(0.49), 28.5°(0.37), 30.3°(0.61), 34.8°(0.36), 38.8°(0.18), 41.6°(0.22), 42.4°(0.19), 42.8°(0.32), 43.1°(0.19), 43.8°(0.36), 46.6°(0.15), 47.1°(0.13), 48.2°(0.17), 49.3°(0.14), 51.6°(0.14), 54.4°(... | JVASP-60669 | 4.20 6.62 8.97
81 76 71
U 0.768 0.750 0.250
U 0.232 0.250 0.750
B 0.159 0.149 0.250
B 0.558 0.351 0.250
B 0.841 0.851 0.750
B 0.442 0.649 0.750
O 0.147 0.227 0.958
O 0.332 0.273 0.542
O 0.647 0.448 0.759
O 0.855 0.052 0.741
O 0.145 0.948 0.259
O 0.512 0.835 0.766
O 0.112 0.665 0.734
O 0.488 0.165 0.234
O 0.888 0.335 0.... |
Below is a description of a material. | The chemical formula is: Li2CuAu.
The XRD pattern shows main peaks at: 10.5°(1.0), 11.0°(0.2), 12.1°(0.41), 12.5°(0.14), 17.1°(0.19), 18.4°(0.14), 20.1°(0.27), 21.2°(0.42), 22.1°(0.18), 24.3°(0.08), 25.2°(0.13), 26.5°(0.14), 27.4°(0.21), 28.1°(0.19), 29.9°(0.09), 31.7°(0.17).
Generate atomic structure description with ... | JVASP-80266 | 9.64 10.19 10.19
61 61 61
Li 0.752 -0.000 0.000
Li 0.248 0.000 -0.000
Cu 0.000 0.000 0.000
Au 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: ZnPb2N2.
The XRD pattern shows main peaks at: 9.7°(0.11), 19.4°(0.18), 29.3°(0.25), 29.9°(1.0), 34.5°(0.49), 41.1°(0.11), 49.1°(0.25), 49.9°(0.26), 58.2°(0.08), 58.9°(0.16), 59.3°(0.13), 62.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107375 | 3.65 3.65 11.13
90 119 119
Zn -0.000 -0.000 0.500
Pb 0.698 0.349 0.183
Pb 0.302 0.651 0.817
N 0.401 0.201 0.700
N 0.599 0.799 0.300 |
Below is a description of a material. | The chemical formula is: HfI3.
The XRD pattern shows main peaks at: 14.0°(0.81), 28.1°(1.0), 31.1°(0.2), 37.2°(0.6), 39.9°(0.14), 42.8°(0.47), 49.2°(0.21), 52.0°(0.17), 57.2°(0.06), 58.0°(0.16), 74.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-32741 | 7.32 7.32 6.45
90 90 120
Hf 0.000 0.000 0.000
Hf 0.000 0.000 0.500
I 0.328 0.000 0.250
I 0.672 0.000 0.750
I 0.000 0.328 0.250
I 0.328 0.328 0.750
I -0.000 0.672 0.750
I 0.672 0.672 0.250 |
Below is a description of a material. | The chemical formula is: DyMgHg2.
The XRD pattern shows main peaks at: 21.6°(0.12), 25.0°(0.15), 35.6°(1.0), 42.0°(0.07), 51.2°(0.17), 57.8°(0.07), 63.9°(0.34), 75.4°(0.11), 86.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40544 | 5.04 5.04 5.04
60 60 60
Dy 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: VF.
The XRD pattern shows main peaks at: 31.8°(0.28), 45.6°(1.0), 56.7°(0.06), 66.4°(0.13), 75.5°(0.08), 84.3°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122943 | 2.81 2.81 2.81
90 90 90
V 0.500 0.500 0.500
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CoB3Rh6.
The XRD pattern shows main peaks at: 33.5°(0.26), 36.7°(0.26), 38.1°(0.17), 40.6°(0.38), 41.6°(1.0), 46.2°(0.16), 47.6°(0.17), 48.8°(0.1), 74.5°(0.18), 76.0°(0.16), 76.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169100 | 4.73 7.51 7.47
59 89 90
Co 0.013 0.093 0.460
Co 0.013 0.447 0.460
B 0.249 0.189 0.621
B 0.255 0.620 0.201
B 0.255 0.179 0.201
B 0.752 0.811 0.378
B 0.763 0.381 0.805
B 0.763 0.813 0.805
Rh 0.155 0.874 0.252
Rh 0.166 0.249 0.873
Rh 0.166 0.878 0.873
Rh 0.673 0.128 0.745
Rh 0.664 0.753 0.122
Rh 0.664 0.125 0.122
Rh 0.509... |
Below is a description of a material. | The chemical formula is: CdCN2.
The XRD pattern shows main peaks at: 17.1°(1.0), 30.5°(0.63), 34.6°(0.29), 35.2°(0.98), 43.7°(0.45), 46.8°(0.53), 47.2°(0.31), 53.0°(0.06), 56.9°(0.26), 62.4°(0.22), 63.5°(0.13), 66.3°(0.11), 71.0°(0.1), 72.0°(0.1), 74.7°(0.21), 81.2°(0.06), 82.4°(0.17), 87.2°(0.06), 89.1°(0.08).
Generat... | JVASP-120925 | 2.93 2.93 5.18
90 90 90
Cd 0.500 0.500 0.434
C 0.000 0.000 0.898
N 0.000 0.000 0.658
N 0.500 0.500 0.020 |
Below is a description of a material. | The chemical formula is: ZrAlCuPd.
The XRD pattern shows main peaks at: 24.3°(0.17), 28.1°(0.05), 40.1°(1.0), 58.1°(0.16), 72.9°(0.33), 86.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189370 | 4.49 4.49 4.49
60 60 60
Cu 0.750 0.750 0.750
Zr 0.500 0.500 0.500
Pd 0.250 0.250 0.250
Al -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Ba3Pb5.
The XRD pattern shows main peaks at: 14.6°(0.2), 26.2°(0.13), 29.5°(1.0), 30.2°(0.38), 31.2°(0.3), 31.7°(0.23), 34.4°(0.26), 34.9°(0.36), 40.0°(0.08), 41.4°(0.1), 42.0°(0.1), 44.0°(0.09), 45.0°(0.13), 48.4°(0.06), 50.2°(0.16), 56.7°(0.06), 58.2°(0.22), 60.3°(0.1), 63.5°(0.07), 72.0°(0.0... | JVASP-85533 | 7.27 7.27 11.46
90 90 101
Ba 0.865 0.865 0.750
Ba 0.707 0.293 0.500
Ba 0.293 0.707 0.500
Ba 0.293 0.707 0.000
Ba 0.135 0.135 0.250
Ba 0.707 0.293 0.000
Pb 0.416 0.013 0.750
Pb 0.987 0.584 0.250
Pb 0.197 0.197 0.554
Pb 0.197 0.197 0.946
Pb 0.537 0.537 0.250
Pb 0.803 0.803 0.446
Pb 0.463 0.463 0.750
Pb 0.584 0.987 0.250
... |
Below is a description of a material. | The chemical formula is: Dy2CuOs.
The XRD pattern shows main peaks at: 22.5°(0.09), 37.2°(1.0), 43.9°(0.05), 53.6°(0.17), 67.1°(0.34), 79.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41203 | 4.83 4.83 4.83
60 60 60
Dy 0.500 0.500 0.500
Dy 0.000 0.000 0.000
Cu 0.250 0.250 0.250
Os 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CaAs.
The XRD pattern shows main peaks at: 25.8°(0.16), 29.8°(1.0), 42.7°(0.77), 50.5°(0.08), 53.0°(0.25), 62.0°(0.12), 70.3°(0.33), 78.2°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138413 | 4.23 4.23 5.99
90 90 90
Ca 0.000 0.000 0.250
Ca 0.500 0.500 0.750
As 0.000 0.000 0.750
As 0.500 0.500 0.250 |
Below is a description of a material. | The chemical formula is: TaV2Fe.
The XRD pattern shows main peaks at: 25.7°(0.32), 29.7°(0.16), 42.5°(1.0), 50.3°(0.19), 61.7°(0.16), 67.9°(0.08), 69.9°(0.06), 77.8°(0.31), 83.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160006 | 4.25 4.25 4.25
60 60 60
Ta 0.500 0.500 0.500
V 0.000 0.000 0.000
V 0.750 0.750 0.750
Fe 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CaPSe3.
The XRD pattern shows main peaks at: 27.0°(0.21), 28.5°(0.51), 29.7°(0.29), 30.1°(1.0), 31.2°(0.22), 32.5°(0.66), 33.5°(0.25), 34.7°(0.19), 36.3°(0.16), 36.7°(0.12), 37.3°(0.13), 38.1°(0.26), 44.7°(0.17), 46.1°(0.14), 50.2°(0.13), 52.8°(0.18), 54.1°(0.23), 54.7°(0.25), 55.6°(0.14), 56.6... | JVASP-173474 | 6.88 7.54 9.65
90 92 90
Ca 0.961 0.385 0.247
Ca 0.461 0.115 0.747
Ca 0.539 0.885 0.253
Ca 0.039 0.615 0.753
P 0.066 0.893 0.436
P 0.934 0.107 0.564
P 0.434 0.393 0.064
P 0.566 0.607 0.936
Se 0.125 0.014 0.233
Se 0.671 0.205 0.448
Se 0.829 0.705 0.052
Se 0.329 0.795 0.552
Se 0.337 0.814 0.937
Se 0.163 0.314 0.563
Se 0.6... |
Below is a description of a material. | The chemical formula is: DyGePt.
The XRD pattern shows main peaks at: 26.7°(0.27), 33.7°(0.29), 34.8°(1.0), 37.6°(0.06), 40.3°(0.18), 41.1°(0.5), 48.9°(0.05), 52.1°(0.06), 55.0°(0.17), 59.1°(0.11), 62.3°(0.05), 66.8°(0.17), 68.5°(0.08), 71.1°(0.09), 75.3°(0.11), 77.5°(0.05).
Generate atomic structure description with l... | JVASP-152200 | 4.38 7.02 7.63
90 90 90
Dy 0.250 0.997 0.296
Dy 0.750 0.503 0.796
Dy 0.750 0.003 0.704
Dy 0.250 0.497 0.204
Ge 0.250 0.309 0.589
Ge 0.750 0.191 0.089
Ge 0.750 0.691 0.411
Ge 0.250 0.809 0.911
Pt 0.250 0.207 0.916
Pt 0.750 0.293 0.416
Pt 0.750 0.793 0.084
Pt 0.250 0.707 0.584 |
Below is a description of a material. | The chemical formula is: LiSbO2.
The XRD pattern shows main peaks at: 19.5°(1.0), 20.4°(0.2), 30.1°(0.43), 32.9°(0.56), 33.6°(0.12), 34.1°(0.12), 35.3°(0.29), 36.9°(0.11), 37.3°(0.21), 41.5°(0.16), 44.7°(0.16), 47.6°(0.11), 51.4°(0.1), 52.4°(0.11), 54.4°(0.11), 54.8°(0.1), 55.5°(0.09), 56.2°(0.11), 56.9°(0.1), 61.9°(0.... | JVASP-50250 | 5.58 5.58 5.31
66 113 77
Li 0.453 0.453 0.750
Li 0.547 0.547 0.250
Sb 0.892 0.892 0.750
Sb 0.108 0.108 0.250
O 0.270 0.805 0.765
O 0.195 0.730 0.265
O 0.805 0.270 0.735
O 0.730 0.195 0.235 |
Below is a description of a material. | The chemical formula is: H2CO2.
The XRD pattern shows main peaks at: 17.5°(0.3), 24.2°(0.52), 27.2°(0.08), 30.8°(1.0), 31.3°(0.24), 32.1°(0.23), 33.5°(0.2), 35.6°(0.21), 38.0°(0.25), 39.3°(0.12), 41.0°(0.19), 43.7°(0.06), 56.7°(0.07), 60.1°(0.06), 61.3°(0.07), 64.9°(0.07).
Generate atomic structure description with lat... | JVASP-57823 | 3.46 5.35 10.15
90 90 90
H 0.069 0.328 0.603
H 0.536 0.353 0.359
H 0.964 0.353 0.859
H 0.036 0.853 0.141
H 0.569 0.828 0.897
H 0.931 0.828 0.397
H 0.431 0.328 0.103
H 0.464 0.853 0.641
C 0.685 0.667 0.842
C 0.815 0.667 0.342
C 0.185 0.167 0.658
C 0.315 0.167 0.158
O 0.650 0.645 0.721
O 0.643 0.500 0.416
O 0.350 0.145 0... |
Below is a description of a material. | The chemical formula is: YHf.
The XRD pattern shows main peaks at: 16.7°(0.13), 30.7°(0.33), 33.7°(0.27), 35.1°(1.0), 46.2°(0.2), 54.6°(0.2), 61.2°(0.22), 65.7°(0.22), 66.6°(0.17), 74.3°(0.05), 86.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-131390 | 3.36 3.36 5.32
90 90 120
Y 0.667 0.333 0.250
Hf 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: ZnNi2Pd.
The XRD pattern shows main peaks at: 42.4°(1.0), 48.2°(0.16), 50.0°(0.32), 72.0°(0.19), 73.4°(0.09), 85.9°(0.11), 88.7°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183375 | 3.65 3.65 3.78
90 90 90
Zn 0.500 0.500 0.000
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Pd -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: YCrO4.
The XRD pattern shows main peaks at: 18.8°(0.09), 24.9°(1.0), 33.6°(0.64), 35.5°(0.15), 40.5°(0.1), 49.7°(0.57), 51.2°(0.15), 57.7°(0.11), 62.6°(0.18), 64.8°(0.1), 70.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11679 | 5.95 5.95 5.95
106 106 116
Y 0.125 0.875 0.250
Y 0.875 0.125 0.750
Cr 0.375 0.625 0.750
Cr 0.625 0.375 0.250
O 0.799 0.733 0.434
O 0.366 0.799 0.566
O 0.733 0.799 0.934
O 0.799 0.366 0.066
O 0.634 0.201 0.434
O 0.201 0.267 0.566
O 0.201 0.634 0.934
O 0.267 0.201 0.066 |
Below is a description of a material. | The chemical formula is: Yb3Ni.
The XRD pattern shows main peaks at: 19.3°(0.1), 27.4°(0.09), 33.7°(1.0), 39.1°(0.48), 56.5°(0.33), 67.5°(0.39), 70.9°(0.12), 84.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128357 | 4.60 4.60 4.60
90 90 90
Yb 0.000 0.500 0.500
Yb 0.500 0.000 0.500
Yb 0.500 0.500 0.000
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PrCdPd.
The XRD pattern shows main peaks at: 31.9°(1.0), 34.7°(0.9), 35.3°(0.49), 40.3°(0.34), 42.0°(0.27), 44.7°(0.26), 58.2°(0.22), 61.7°(0.21), 64.7°(0.31), 74.3°(0.16), 75.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-90366 | 7.76 7.76 4.05
90 90 120
Pr 0.406 0.406 0.500
Pr -0.000 0.594 0.500
Pr 0.594 -0.000 0.500
Cd 0.747 0.747 0.000
Cd 0.253 -0.000 0.000
Cd -0.000 0.253 0.000
Pd 0.667 0.333 0.000
Pd 0.000 0.000 0.500
Pd 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: YBO.
The XRD pattern shows main peaks at: 24.6°(1.0), 26.1°(0.63), 36.2°(0.69), 43.3°(0.42), 50.5°(0.15), 51.3°(0.54), 53.6°(0.08), 57.7°(0.19), 59.8°(0.16), 68.7°(0.11), 71.3°(0.19), 74.8°(0.18), 76.7°(0.08), 85.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-114002 | 4.17 4.17 3.42
90 90 120
Y 0.667 0.333 0.000
B 0.000 0.000 0.000
O 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Be4CuPt.
The XRD pattern shows main peaks at: 25.3°(1.0), 29.2°(0.22), 41.8°(0.81), 49.5°(0.69), 60.6°(0.11), 66.7°(0.17), 76.4°(0.27), 82.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189785 | 4.32 4.32 4.32
60 60 59
Be 0.376 0.376 0.376
Be 0.376 0.873 0.376
Be 0.376 0.376 0.873
Be 0.873 0.376 0.376
Cu 0.750 0.750 0.750
Pt -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Ba4RePb.
The XRD pattern shows main peaks at: 26.2°(0.38), 30.9°(1.0), 32.3°(0.29), 46.3°(0.18), 49.3°(0.38), 54.0°(0.31), 61.0°(0.08), 63.5°(0.13), 64.3°(0.12), 73.8°(0.09), 76.1°(0.24), 79.9°(0.05), 88.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-66081 | 6.79 6.79 6.79
60 60 60
Ba 0.123 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.123 0.626
Ba 0.626 0.626 0.123
Re 0.000 0.000 0.000
Pb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Sm3Fe.
The XRD pattern shows main peaks at: 9.8°(0.06), 29.0°(0.89), 29.6°(0.29), 33.8°(1.0), 48.0°(0.37), 48.9°(0.37), 57.1°(0.14), 57.5°(0.26), 58.2°(0.13), 60.0°(0.21), 71.0°(0.12), 77.7°(0.11), 80.3°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-122848 | 3.79 3.79 9.05
90 90 120
Sm 0.000 0.000 0.500
Sm 0.333 0.667 0.174
Sm 0.667 0.333 0.826
Fe 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YAgPb.
The XRD pattern shows main peaks at: 19.8°(0.08), 23.5°(0.37), 24.1°(0.23), 30.9°(0.48), 33.9°(1.0), 36.2°(0.24), 40.3°(0.31), 41.3°(0.37), 41.6°(0.54), 47.2°(0.13), 48.0°(0.12), 55.3°(0.13), 59.1°(0.25), 64.5°(0.09), 65.4°(0.29), 69.2°(0.13), 74.2°(0.1), 79.5°(0.16).
Generate atomic str... | JVASP-18119 | 7.58 7.58 4.47
90 90 120
Y -0.000 0.421 0.500
Y 0.579 0.579 0.500
Y 0.421 -0.000 0.500
Ag -0.000 0.749 0.000
Ag 0.251 0.251 0.000
Ag 0.749 -0.000 0.000
Pb 0.000 0.000 0.500
Pb 0.333 0.667 0.000
Pb 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: HfAlIr2.
The XRD pattern shows main peaks at: 24.3°(0.16), 28.1°(0.11), 40.2°(1.0), 47.5°(0.08), 58.2°(0.17), 73.1°(0.34), 86.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37753 | 4.49 4.49 4.49
60 60 60
Hf 0.750 0.750 0.750
Al 0.250 0.250 0.250
Ir 0.000 0.000 0.000
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeSi2Sb.
The XRD pattern shows main peaks at: 23.6°(0.92), 24.7°(0.3), 28.5°(0.41), 38.1°(1.0), 40.8°(0.41), 42.8°(0.19), 47.7°(0.26), 48.3°(0.19), 50.7°(0.1), 59.1°(0.2), 60.6°(0.13), 65.0°(0.08), 67.0°(0.21), 72.5°(0.27), 79.2°(0.06), 81.5°(0.11), 86.9°(0.08), 88.4°(0.1).
Generate atomic stru... | JVASP-67967 | 4.77 4.77 4.77
124 124 81
Be 0.500 0.500 0.000
Si 0.000 0.000 0.000
Si 0.250 0.750 0.500
Sb 0.750 0.250 0.500 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.