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: BaFe4Sb12.
The XRD pattern shows main peaks at: 30.5°(1.0), 36.3°(0.42), 43.7°(0.11), 48.1°(0.21), 50.2°(0.23), 58.0°(0.13), 59.9°(0.09), 68.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121823 | 8.03 8.03 8.03
109 109 109
Ba 0.000 0.000 0.000
Fe 0.000 0.000 0.500
Fe 0.500 0.000 -0.000
Fe -0.000 0.500 0.000
Fe 0.500 0.500 0.500
Sb 0.164 0.662 0.826
Sb 0.836 0.338 0.174
Sb 0.502 0.164 0.338
Sb 0.498 0.836 0.662
Sb 0.826 0.164 0.662
Sb 0.338 0.502 0.164
Sb 0.836 0.662 0.498
Sb 0.662 0.498 0.836
Sb 0.662 0.826 0.1... |
Below is a description of a material. | The chemical formula is: Nb2CrRh.
The XRD pattern shows main peaks at: 31.9°(0.09), 40.4°(1.0), 40.9°(0.52), 57.8°(0.08), 59.2°(0.17), 73.2°(0.15), 74.1°(0.3), 87.5°(0.09), 88.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187115 | 3.12 3.12 6.38
90 90 90
Cr 0.500 0.500 -0.000
Nb 0.000 -0.000 0.767
Nb -0.000 0.000 0.233
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Mg2BePd.
The XRD pattern shows main peaks at: 21.7°(0.45), 25.7°(0.82), 33.1°(0.31), 39.9°(1.0), 40.5°(0.27), 44.1°(0.19), 47.4°(0.29), 52.7°(0.18), 54.7°(0.22), 56.2°(0.14), 61.4°(0.07), 64.1°(0.13), 66.8°(0.22), 69.4°(0.09), 73.6°(0.06), 78.3°(0.14), 79.0°(0.05), 81.1°(0.07), 83.1°(0.24), 86.... | JVASP-179182 | 4.92 4.92 4.92
134 134 66
Mg -0.000 -0.000 -0.000
Mg 0.250 0.750 0.500
Be 0.750 0.250 0.500
Pd 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: CoGeO4.
The XRD pattern shows main peaks at: 26.0°(1.0), 38.4°(0.12), 39.5°(0.2), 49.4°(0.29), 56.2°(0.16), 56.7°(0.22), 64.2°(0.07), 65.0°(0.16), 71.9°(0.09), 72.4°(0.08), 78.1°(0.12), 85.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186233 | 5.25 5.25 5.25
138 138 59
Co 0.000 0.000 -0.000
Ge 0.750 0.250 0.500
O 0.958 0.458 0.500
O 0.794 0.794 0.000
O 0.542 0.042 0.500
O 0.206 0.206 0.000 |
Below is a description of a material. | The chemical formula is: Ba4Pd.
The XRD pattern shows main peaks at: 19.2°(0.12), 23.5°(1.0), 27.2°(0.32), 38.9°(0.61), 46.0°(0.49), 48.1°(0.08), 56.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101663 | 9.26 9.26 9.26
60 60 60
Ba 0.381 0.381 0.381
Ba 0.381 0.381 0.858
Ba 0.381 0.858 0.381
Ba 0.869 0.869 0.392
Ba 0.869 0.869 0.869
Ba 0.858 0.381 0.381
Ba 0.869 0.392 0.869
Ba 0.392 0.869 0.869
Pd 0.000 0.000 0.000
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: UPa3.
The XRD pattern shows main peaks at: 33.5°(1.0), 38.9°(0.54), 56.2°(0.38), 67.1°(0.46), 70.5°(0.14), 83.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125740 | 4.63 4.63 4.63
90 90 90
U 0.000 0.000 0.500
Pa 0.000 0.500 0.000
Pa 0.500 0.000 0.000
Pa 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Cr4Cu3O12.
The XRD pattern shows main peaks at: 17.5°(0.25), 30.6°(0.13), 35.5°(1.0), 39.9°(0.09), 51.1°(0.29), 63.7°(0.44), 75.1°(0.12), 85.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10329 | 6.19 6.19 6.20
109 109 109
Cr 0.000 0.000 0.500
Cr 1.000 0.500 1.000
Cr 0.500 0.500 0.500
Cr 0.500 1.000 0.000
Cu 0.500 0.500 0.000
Cu 0.000 0.500 0.500
Cu 0.500 1.000 0.500
O 0.693 0.507 0.814
O 0.184 0.305 0.493
O 0.507 0.815 0.693
O 0.695 0.879 0.188
O 0.121 0.816 0.309
O 0.816 0.695 0.507
O 0.307 0.493 0.186
O 0.87... |
Below is a description of a material. | The chemical formula is: KMnBi.
The XRD pattern shows main peaks at: 10.7°(0.42), 21.5°(1.0), 26.5°(0.42), 28.5°(0.49), 34.3°(0.65), 37.8°(0.42), 39.4°(0.08), 42.3°(0.25), 43.9°(0.39), 47.8°(0.25), 54.5°(0.17), 59.3°(0.1), 61.7°(0.08), 62.5°(0.24), 66.1°(0.19), 69.0°(0.1), 71.4°(0.1), 72.6°(0.08), 75.5°(0.08), 87.6°(0.... | JVASP-35911 | 4.76 4.76 8.30
90 90 90
K 0.500 0.000 0.345
K 0.000 0.500 0.655
Mn 0.500 0.500 0.000
Mn 0.000 0.000 0.000
Bi 0.500 0.000 0.803
Bi 0.000 0.500 0.197 |
Below is a description of a material. | The chemical formula is: VCuPt2.
The XRD pattern shows main peaks at: 24.1°(0.24), 32.4°(0.25), 40.8°(1.0), 46.4°(0.31), 49.4°(0.13), 53.0°(0.13), 60.3°(0.08), 67.8°(0.11), 70.2°(0.19), 73.1°(0.06), 82.2°(0.25), 88.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189995 | 2.77 2.77 7.37
90 90 90
Cu 0.500 0.500 0.000
Pt -0.000 -0.000 0.746
Pt 0.000 0.000 0.254
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NO.
The XRD pattern shows main peaks at: 29.4°(1.0), 38.2°(0.42), 40.5°(0.32), 44.2°(0.25), 44.7°(0.22), 56.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149663 | 4.53 5.19 4.52
65 90 90
N 0.841 0.750 -0.000
N 0.341 0.250 0.500
N 0.159 0.250 0.000
N 0.659 0.750 0.500
O 0.099 0.750 -0.000
O 0.599 0.250 0.500
O 0.901 0.250 0.000
O 0.401 0.750 0.500 |
Below is a description of a material. | The chemical formula is: AlZnPd2.
The XRD pattern shows main peaks at: 28.4°(0.1), 29.4°(0.18), 32.8°(0.07), 41.3°(1.0), 42.1°(0.51), 51.6°(0.08), 58.7°(0.09), 61.1°(0.17), 74.8°(0.16), 76.5°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192152 | 3.03 3.03 6.29
90 90 90
Zn 0.500 0.500 0.500
Al 0.500 0.500 0.000
Pd 0.000 0.000 0.760
Pd -0.000 -0.000 0.240 |
Below is a description of a material. | The chemical formula is: Ba2LiSn.
The XRD pattern shows main peaks at: 18.2°(0.19), 21.0°(0.15), 29.9°(1.0), 35.2°(0.11), 42.8°(0.19), 48.1°(0.06), 53.1°(0.39), 62.1°(0.12), 70.5°(0.16), 86.1°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68993 | 5.98 5.98 5.98
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Li 0.000 0.000 0.000
Sn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AlP2.
The XRD pattern shows main peaks at: 17.0°(0.08), 22.5°(0.44), 28.3°(0.66), 32.6°(1.0), 34.3°(0.07), 40.0°(0.16), 41.5°(0.74), 43.7°(0.38), 46.0°(0.34), 52.6°(0.15), 53.7°(0.71), 57.5°(0.35), 63.2°(0.15), 68.3°(0.11), 72.4°(0.15), 75.5°(0.07), 81.7°(0.2), 83.2°(0.19), 86.3°(0.12).
Generat... | JVASP-135472 | 5.22 3.95 2.75
90 90 90
Al 0.000 0.424 0.000
P 0.292 0.924 0.000
P 0.708 0.924 0.000 |
Below is a description of a material. | The chemical formula is: DyNi3.
The XRD pattern shows main peaks at: 21.1°(0.09), 33.3°(0.5), 36.4°(0.73), 42.6°(0.34), 43.0°(1.0), 44.9°(0.12), 46.4°(0.2), 50.2°(0.08), 63.7°(0.14), 65.6°(0.21), 70.2°(0.19), 77.5°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-151923 | 8.57 8.57 8.57
33 33 33
Dy 0.139 0.139 0.139
Dy 0.861 0.861 0.861
Dy 0.000 0.000 0.000
Ni 0.081 0.583 0.583
Ni 0.583 0.081 0.583
Ni 0.583 0.583 0.081
Ni 0.919 0.417 0.417
Ni 0.417 0.417 0.919
Ni 0.417 0.919 0.417
Ni 0.333 0.333 0.333
Ni 0.667 0.667 0.667
Ni 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ti2MnTc.
The XRD pattern shows main peaks at: 25.4°(0.09), 29.4°(0.09), 42.1°(1.0), 61.0°(0.17), 76.9°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110046 | 4.30 4.30 4.30
60 60 60
Ti 0.500 0.500 0.500
Ti 0.000 0.000 0.000
Mn 0.250 0.250 0.250
Tc 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MgMn2O4.
The XRD pattern shows main peaks at: 18.5°(0.37), 20.7°(0.12), 32.2°(0.31), 33.7°(1.0), 37.4°(0.31), 42.0°(0.36), 43.1°(0.44), 46.2°(0.52), 50.3°(0.07), 51.2°(0.14), 58.6°(0.23), 60.9°(0.13), 64.1°(0.18), 65.1°(0.45), 74.4°(0.17).
Generate atomic structure description with lattice leng... | JVASP-9959 | 2.91 5.03 9.57
90 90 106
Mg 0.388 0.776 0.750
Mg 0.612 0.224 0.250
Mn 0.869 0.737 0.070
Mn 0.131 0.263 0.930
Mn 0.869 0.737 0.430
Mn 0.131 0.263 0.570
O 0.221 0.443 0.386
O 0.779 0.557 0.614
O 0.779 0.557 0.886
O 0.221 0.443 0.114
O 0.958 0.916 0.250
O 0.042 0.084 0.750
O 0.500 0.000 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Sm2C3N6.
The XRD pattern shows main peaks at: 16.7°(1.0), 21.8°(0.26), 23.8°(0.74), 24.5°(0.68), 28.3°(0.43), 28.8°(0.91), 29.5°(0.18), 31.3°(0.25), 33.1°(0.31), 33.9°(0.09), 35.1°(0.68), 37.3°(0.19), 40.0°(0.12), 41.2°(0.6), 47.0°(0.42), 50.1°(0.39), 51.5°(0.1), 53.6°(0.17), 54.5°(0.18), 55.7°... | JVASP-86117 | 3.87 5.32 7.56
95 104 90
Sm 0.866 0.929 0.731
Sm 0.134 0.071 0.269
C 0.328 0.405 0.656
C 0.672 0.595 0.344
C 0.000 0.500 -0.000
N 0.988 0.268 0.977
N 0.690 0.829 0.379
N 0.657 0.366 0.314
N 0.012 0.732 0.023
N 0.310 0.171 0.621
N 0.343 0.634 0.686 |
Below is a description of a material. | The chemical formula is: Li3Mn2CoO6.
The XRD pattern shows main peaks at: 18.6°(1.0), 34.6°(0.2), 37.0°(0.25), 37.5°(0.08), 38.1°(0.08), 41.5°(0.35), 45.1°(0.52), 47.8°(0.09), 55.2°(0.05), 59.4°(0.1), 63.0°(0.2), 65.0°(0.1), 66.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-122004 | 2.97 5.91 6.39
103 103 94
Li -0.000 0.500 0.000
Li 0.659 0.834 0.329
Li 0.341 0.166 0.671
Mn 0.678 0.324 0.333
Mn 0.322 0.676 0.667
Co 0.000 0.000 0.000
O 0.467 0.774 0.987
O 0.200 0.083 0.321
O 0.858 0.422 0.657
O 0.533 0.226 0.013
O 0.142 0.578 0.343
O 0.800 0.917 0.679 |
Below is a description of a material. | The chemical formula is: UCd2O5.
The XRD pattern shows main peaks at: 16.2°(0.24), 18.3°(0.14), 23.3°(0.21), 27.6°(1.0), 29.5°(0.92), 32.3°(0.22), 32.8°(0.25), 33.3°(0.44), 44.8°(0.09), 47.4°(0.36), 47.7°(0.17), 48.2°(0.09), 48.7°(0.15), 49.9°(0.11), 54.3°(0.12), 56.0°(0.13), 57.1°(0.17), 57.6°(0.15), 61.3°(0.1), 65.6°... | JVASP-36072 | 5.39 6.46 8.09
109 90 114
U 0.000 0.000 0.000
U 0.000 0.000 0.500
Cd 0.325 0.694 0.217
Cd 0.631 0.306 0.283
Cd 0.369 0.694 0.717
Cd 0.675 0.306 0.783
O 0.387 0.186 0.970
O 0.613 0.814 0.030
O 0.987 0.329 0.136
O 0.189 0.000 0.250
O 0.658 0.671 0.364
O 0.798 0.186 0.470
O 0.202 0.814 0.530
O 0.342 0.329 0.636
O 0.811 1.... |
Below is a description of a material. | The chemical formula is: BeNbPb2.
The XRD pattern shows main peaks at: 9.5°(0.09), 19.1°(0.32), 28.8°(0.46), 30.4°(1.0), 34.8°(0.72), 41.1°(0.69), 45.7°(0.15), 49.0°(0.33), 51.0°(0.39), 57.8°(0.07), 59.6°(0.16), 63.2°(0.05), 65.9°(0.16), 67.5°(0.17), 68.3°(0.23), 70.8°(0.19), 75.0°(0.09), 80.6°(0.2), 89.2°(0.06).
Gener... | JVASP-71349 | 3.10 3.10 9.29
90 90 90
Be 0.000 0.000 0.535
Nb 0.500 0.500 0.691
Pb 0.000 0.000 0.948
Pb 0.500 0.500 0.326 |
Below is a description of a material. | The chemical formula is: Dy2O3.
The XRD pattern shows main peaks at: 28.9°(1.0), 33.5°(0.35), 48.1°(0.46), 57.1°(0.4), 59.8°(0.09), 70.3°(0.07), 77.7°(0.16), 80.2°(0.13), 89.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-53340 | 5.35 5.35 5.35
90 90 90
Dy 0.750 0.250 0.750
Dy 0.250 0.750 0.750
Dy 0.250 0.250 0.250
Dy 0.750 0.750 0.250
O 0.000 0.500 0.000
O 0.500 0.000 0.000
O 0.500 0.500 0.000
O 0.000 0.000 0.500
O 0.000 0.500 0.500
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: TbVO4.
The XRD pattern shows main peaks at: 18.7°(0.4), 24.8°(1.0), 31.2°(0.14), 33.3°(0.72), 35.3°(0.22), 40.2°(0.14), 44.7°(0.1), 47.8°(0.13), 49.3°(0.55), 50.8°(0.16), 51.8°(0.05), 57.3°(0.14), 58.2°(0.06), 62.1°(0.17), 64.3°(0.11), 70.0°(0.1), 73.5°(0.13), 80.9°(0.06), 84.3°(0.12), 86.2°(0.... | JVASP-150982 | 7.19 5.99 5.99
73 53 53
Tb 0.375 0.375 0.875
Tb 0.625 0.625 0.125
V 0.875 0.875 0.375
V 0.125 0.125 0.625
O 0.865 0.701 0.201
O 0.234 0.701 0.201
O 0.701 0.234 0.365
O 0.701 0.865 0.734
O 0.135 0.299 0.799
O 0.766 0.299 0.799
O 0.299 0.766 0.635
O 0.299 0.135 0.266 |
Below is a description of a material. | The chemical formula is: BaCd2Sn.
The XRD pattern shows main peaks at: 32.4°(1.0), 46.4°(0.2), 57.7°(0.42), 67.7°(0.13), 77.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182422 | 5.53 5.53 5.53
60 60 60
Ba 0.500 0.500 0.500
Cd 0.250 0.250 0.250
Cd 0.750 0.750 0.750
Sn -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: HoO3.
The XRD pattern shows main peaks at: 16.0°(1.0), 27.8°(0.66), 30.9°(0.85), 32.2°(0.08), 42.1°(0.48), 43.1°(0.14), 49.2°(0.22), 51.2°(0.6), 54.1°(0.07), 57.5°(0.1), 61.9°(0.14), 66.7°(0.2), 76.2°(0.12), 79.0°(0.1), 80.6°(0.13).
Generate atomic structure description with lattice lengths, an... | JVASP-35632 | 6.41 6.41 3.39
90 90 120
Ho 0.333 0.667 0.750
Ho 0.667 0.333 0.250
O 0.941 0.580 0.750
O 0.059 0.420 0.250
O 0.639 0.059 0.750
O 0.361 0.941 0.250
O 0.420 0.361 0.750
O 0.580 0.639 0.250 |
Below is a description of a material. | The chemical formula is: BaErO3.
The XRD pattern shows main peaks at: 28.8°(1.0), 41.2°(0.29), 51.1°(0.45), 59.7°(0.18), 67.7°(0.2), 75.2°(0.07), 82.4°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100149 | 4.38 4.38 4.38
90 90 90
Ba 0.000 0.000 0.000
Er 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Tl2F3.
The XRD pattern shows main peaks at: 27.0°(1.0), 38.5°(0.31), 47.6°(0.44), 55.6°(0.21), 62.8°(0.19), 69.7°(0.06), 76.2°(0.24), 88.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105301 | 4.68 4.68 4.68
90 90 90
Tl 0.500 0.500 0.500
Tl 0.000 0.000 0.000
F 0.500 0.000 0.000
F 0.000 0.500 0.000
F 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ba3SiO.
The XRD pattern shows main peaks at: 16.4°(0.23), 23.3°(0.1), 28.7°(1.0), 33.2°(0.59), 37.3°(0.13), 41.0°(0.05), 47.7°(0.43), 50.8°(0.07), 56.6°(0.45), 59.4°(0.15), 69.8°(0.07), 77.1°(0.19), 79.5°(0.19), 88.9°(0.15).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-49977 | 5.39 5.39 5.39
90 90 90
Ba 0.000 0.500 0.500
Ba 0.500 0.000 0.500
Ba 0.500 0.500 0.000
Si 0.000 0.000 0.000
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ce2Sb.
The XRD pattern shows main peaks at: 10.0°(0.06), 28.2°(0.15), 30.0°(1.0), 30.4°(0.45), 32.3°(0.3), 34.9°(0.97), 40.3°(0.6), 41.1°(0.08), 50.4°(0.1), 51.3°(0.41), 52.5°(0.14), 58.3°(0.2), 58.9°(0.07), 66.9°(0.21), 69.7°(0.23), 87.0°(0.06).
Generate atomic structure description with latti... | JVASP-149202 | 9.37 9.37 9.37
152 152 39
Ce 0.000 0.500 0.500
Ce 0.500 0.000 0.500
Ce 0.324 0.324 -0.000
Ce 0.676 0.676 -0.000
Sb 0.138 0.138 -0.000
Sb 0.862 0.862 0.000 |
Below is a description of a material. | The chemical formula is: V2F.
The XRD pattern shows main peaks at: 16.2°(0.65), 32.8°(0.08), 34.1°(0.63), 40.5°(0.35), 40.8°(0.36), 41.4°(0.33), 41.8°(1.0), 50.1°(0.55), 50.5°(0.24), 53.7°(0.11), 54.2°(0.1), 59.6°(0.34), 69.5°(0.17), 74.5°(0.06), 76.8°(0.08), 78.8°(0.08), 88.7°(0.07).
Generate atomic structure descript... | JVASP-185445 | 5.64 5.00 2.57
147 95 92
V 0.327 0.268 0.793
V 0.650 0.928 0.614
F 0.026 0.114 -0.019 |
Below is a description of a material. | The chemical formula is: Fe3O4.
The XRD pattern shows main peaks at: 19.2°(0.1), 31.6°(0.29), 37.2°(1.0), 38.9°(0.08), 45.3°(0.2), 56.2°(0.07), 60.0°(0.34), 66.0°(0.39), 78.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-152702 | 5.67 5.67 5.67
60 60 60
Fe 0.875 0.875 0.875
Fe 0.125 0.125 0.125
Fe 0.500 0.500 0.500
Fe 0.500 0.500 -0.000
Fe 0.500 0.000 0.500
Fe -0.000 0.500 0.500
O 0.742 0.742 0.742
O 0.258 0.258 0.258
O 0.274 0.742 0.742
O 0.742 0.742 0.274
O 0.742 0.274 0.742
O 0.726 0.258 0.258
O 0.258 0.726 0.258
O 0.258 0.258 0.726 |
Below is a description of a material. | The chemical formula is: Al2ZnNi3.
The XRD pattern shows main peaks at: 10.2°(0.11), 31.1°(0.06), 32.8°(0.05), 44.4°(1.0), 64.9°(0.14), 82.0°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194711 | 2.87 2.87 8.70
90 90 90
Al 0.500 0.500 0.833
Al 0.500 0.500 0.167
Zn 0.500 0.500 0.500
Ni -0.000 -0.000 -0.000
Ni 0.000 -0.000 0.673
Ni -0.000 0.000 0.327 |
Below is a description of a material. | The chemical formula is: Li3FeN2.
The XRD pattern shows main peaks at: 18.8°(0.67), 20.9°(1.0), 32.9°(0.13), 34.1°(0.21), 37.8°(0.07), 38.8°(0.07), 42.5°(0.12), 43.4°(0.11), 44.4°(0.18), 52.6°(0.15), 54.7°(0.17), 55.5°(0.18), 58.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-24784 | 4.64 4.77 5.77
114 113 90
Li 0.750 0.500 0.000
Li 0.250 0.500 -0.000
Li 0.493 0.743 0.486
Li 0.007 0.257 0.514
Li 0.993 0.743 0.486
Li 0.507 0.257 0.514
Fe 0.750 -0.000 0.000
Fe 0.250 -0.000 0.000
N 0.885 0.108 0.771
N 0.615 0.337 0.229
N 0.115 0.892 0.229
N 0.385 0.663 0.771 |
Below is a description of a material. | The chemical formula is: LiAcRh2.
The XRD pattern shows main peaks at: 22.9°(0.55), 37.9°(1.0), 44.7°(0.27), 54.7°(0.16), 68.4°(0.34), 81.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104589 | 4.75 4.75 4.75
60 60 60
Li 0.000 0.000 0.000
Ac 0.500 0.500 0.500
Rh 0.750 0.750 0.750
Rh 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Sm2In8Pd.
The XRD pattern shows main peaks at: 18.8°(0.06), 27.7°(0.05), 30.5°(0.3), 34.8°(1.0), 36.8°(0.15), 38.1°(0.53), 40.0°(0.08), 54.0°(0.21), 55.0°(0.18), 64.3°(0.07), 66.8°(0.3), 68.0°(0.1), 81.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-140178 | 4.72 4.72 12.22
90 90 90
Sm 0.000 0.000 0.689
Sm 0.000 0.000 0.311
In 0.500 0.000 0.875
In 0.000 0.500 0.875
In 0.500 0.000 0.125
In 0.000 0.500 0.125
In 0.500 0.000 0.500
In 0.000 0.500 0.500
In 0.500 0.500 0.690
In 0.500 0.500 0.310
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AsC3N3.
The XRD pattern shows main peaks at: 18.2°(1.0), 20.0°(0.38), 20.8°(0.41), 21.3°(0.24), 28.8°(0.14), 32.4°(0.14), 33.1°(0.24), 34.0°(0.3), 35.3°(0.07), 36.9°(0.21), 38.4°(0.11), 41.8°(0.07), 43.1°(0.1), 51.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-85484 | 5.70 5.70 8.61
79 79 73
As 0.300 0.297 0.733
As 0.703 0.700 0.267
C 0.966 0.238 0.750
C 0.900 0.668 0.052
C 0.332 0.100 0.948
C 0.762 0.034 0.250
C 0.443 0.986 0.639
C 0.014 0.557 0.361
N 0.540 0.816 0.572
N 0.368 0.992 0.074
N 0.778 0.233 0.248
N 0.767 0.222 0.752
N 0.008 0.632 0.926
N 0.184 0.460 0.428 |
Below is a description of a material. | The chemical formula is: LaNbO4.
The XRD pattern shows main peaks at: 27.8°(1.0), 30.7°(0.13), 33.0°(0.19), 45.7°(0.3), 47.3°(0.14), 52.8°(0.16), 55.8°(0.28), 57.5°(0.11), 73.6°(0.13), 76.1°(0.06), 78.8°(0.05), 86.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-151755 | 6.98 6.98 6.98
134 134 66
La 0.375 0.625 0.250
La 0.625 0.375 0.750
Nb 0.875 0.125 0.250
Nb 0.125 0.875 0.750
O 0.952 0.283 0.659
O 0.624 0.793 0.841
O 0.793 0.952 0.669
O 0.283 0.624 0.831
O 0.048 0.717 0.341
O 0.376 0.207 0.159
O 0.207 0.048 0.331
O 0.717 0.376 0.169 |
Below is a description of a material. | The chemical formula is: NiP3O9.
The XRD pattern shows main peaks at: 16.3°(1.0), 18.2°(0.36), 30.7°(0.26), 31.7°(0.06), 33.0°(0.2), 40.5°(0.05), 46.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34182 | 6.11 6.11 6.11
105 105 105
Ni 0.005 0.005 0.005
P 0.484 0.035 0.901
P 0.035 0.901 0.484
P 0.901 0.484 0.035
O 0.353 0.080 0.073
O 0.292 0.883 0.624
O 0.073 0.353 0.080
O 0.080 0.073 0.353
O 0.661 0.913 0.964
O 0.964 0.661 0.913
O 0.883 0.624 0.292
O 0.913 0.964 0.661
O 0.624 0.292 0.883 |
Below is a description of a material. | The chemical formula is: TlHg.
The XRD pattern shows main peaks at: 32.8°(1.0), 47.1°(0.19), 58.6°(0.4), 68.8°(0.12), 78.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16557 | 3.86 3.86 3.86
90 90 90
Tl 0.500 0.500 0.500
Hg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfVAu2.
The XRD pattern shows main peaks at: 20.0°(0.19), 24.5°(0.09), 25.8°(0.08), 32.9°(0.12), 37.9°(0.09), 38.6°(1.0), 39.0°(0.97), 40.7°(0.41), 45.5°(0.31), 48.9°(0.26), 62.6°(0.25), 64.9°(0.11), 69.0°(0.15), 72.4°(0.16), 79.5°(0.14), 82.8°(0.1), 84.3°(0.1).
Generate atomic structure descri... | JVASP-81229 | 11.51 5.19 5.19
45 28 28
Hf 0.500 0.000 0.000
V 0.000 0.000 0.000
Au 0.743 0.015 0.015
Au 0.257 -0.015 -0.015 |
Below is a description of a material. | The chemical formula is: TlInS2.
The XRD pattern shows main peaks at: 11.9°(0.09), 23.9°(0.41), 27.1°(0.54), 29.1°(1.0), 32.1°(0.97), 40.4°(0.27), 46.7°(0.48), 53.1°(0.33), 54.8°(0.08), 55.9°(0.15), 57.8°(0.17), 63.4°(0.05), 75.8°(0.12), 77.3°(0.15), 86.7°(0.08).
Generate atomic structure description with lattice lengt... | JVASP-7939 | 3.89 3.89 14.92
90 90 120
Tl 0.667 0.333 0.250
Tl 0.333 0.667 0.750
In 0.000 0.000 0.500
In 0.000 0.000 0.000
S 0.333 0.667 0.097
S 0.667 0.333 0.597
S 0.333 0.667 0.403
S 0.667 0.333 0.903 |
Below is a description of a material. | The chemical formula is: YbH3.
The XRD pattern shows main peaks at: 29.7°(1.0), 34.5°(0.56), 49.6°(0.41), 58.9°(0.49), 61.8°(0.14), 72.7°(0.07), 80.5°(0.2), 83.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51417 | 3.68 3.68 3.68
60 60 60
Yb 0.000 0.000 0.000
H 0.750 0.750 0.750
H 0.250 0.250 0.250
H 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: InTe5Pb4.
The XRD pattern shows main peaks at: 23.7°(0.08), 27.4°(1.0), 39.1°(0.67), 48.4°(0.17), 56.6°(0.1), 64.0°(0.24), 71.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170588 | 4.60 16.65 4.60
97 90 97
In 0.000 0.000 0.000
Te 0.500 0.000 0.500
Te 0.300 0.599 0.300
Te 0.901 0.803 0.901
Te 0.099 0.197 0.099
Te 0.700 0.401 0.700
Pb 0.600 0.201 0.600
Pb 0.199 0.398 0.199
Pb 0.801 0.602 0.801
Pb 0.400 0.799 0.400 |
Below is a description of a material. | The chemical formula is: MnSbO4.
The XRD pattern shows main peaks at: 18.4°(0.09), 24.3°(1.0), 36.0°(0.17), 37.2°(0.26), 45.8°(0.22), 52.5°(0.21), 59.6°(0.09), 60.5°(0.14), 67.2°(0.08), 72.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-43021 | 5.57 5.57 5.57
138 138 60
Mn 0.000 0.000 0.000
Sb 0.750 0.250 0.500
O 0.543 0.043 0.500
O 0.209 0.209 0.000
O 0.957 0.457 0.500
O 0.791 0.791 -0.000 |
Below is a description of a material. | The chemical formula is: Sr2LiF.
The XRD pattern shows main peaks at: 22.7°(0.64), 32.4°(1.0), 39.9°(0.2), 46.4°(0.16), 52.3°(0.29), 57.8°(0.33), 67.8°(0.11), 72.5°(0.14), 77.1°(0.14), 81.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179364 | 5.53 5.53 5.53
60 60 60
Sr 0.250 0.250 0.250
Sr 0.750 0.750 0.750
Li 0.500 0.500 0.500
F 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Pm2CoRh.
The XRD pattern shows main peaks at: 25.7°(0.09), 36.6°(1.0), 52.8°(0.17), 65.9°(0.33), 77.9°(0.11), 89.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157452 | 4.91 4.91 4.91
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Co 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YPbS.
The XRD pattern shows main peaks at: 11.0°(0.38), 22.1°(0.24), 24.7°(1.0), 27.1°(0.22), 33.4°(0.51), 35.2°(0.39), 37.0°(0.1), 42.0°(0.56), 49.4°(0.23), 50.7°(0.13), 55.9°(0.09), 57.1°(0.18), 58.4°(0.08), 62.1°(0.23), 63.4°(0.09), 67.9°(0.18), 69.1°(0.07), 84.1°(0.08), 85.2°(0.1), 89.4°(0.... | JVASP-115375 | 3.60 3.60 8.03
90 90 90
Y 0.000 0.000 0.702
Pb 0.000 0.000 0.312
S 0.000 0.000 0.002 |
Below is a description of a material. | The chemical formula is: NbTc2Mo.
The XRD pattern shows main peaks at: 40.4°(1.0), 58.6°(0.11), 73.5°(0.27), 87.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187108 | 3.15 3.15 6.33
90 90 90
Mo 0.500 0.500 0.500
Tc -0.000 -0.000 0.747
Tc 0.000 0.000 0.253
Nb 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Cd2MoWO8.
The XRD pattern shows main peaks at: 28.9°(1.0), 31.9°(0.14), 34.4°(0.22), 47.6°(0.31), 49.4°(0.15), 55.0°(0.17), 58.3°(0.28), 60.0°(0.12), 77.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121632 | 6.72 6.72 6.72
134 134 66
Cd 0.750 0.250 0.500
Cd 0.500 0.500 0.000
Mo 0.000 0.000 0.000
W 0.250 0.750 0.500
O 0.496 0.592 0.412
O 0.180 0.083 0.588
O 0.327 0.246 0.398
O 0.847 0.929 0.602
O 0.754 0.153 0.082
O 0.071 0.673 0.918
O 0.917 0.504 0.097
O 0.408 0.820 0.903 |
Below is a description of a material. | The chemical formula is: GaMo4S8.
The XRD pattern shows main peaks at: 15.7°(0.89), 18.1°(0.48), 30.2°(1.0), 36.7°(0.87), 40.1°(0.08), 45.3°(0.51), 48.2°(0.88), 52.8°(0.82).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57521 | 6.93 6.93 6.93
60 60 60
Ga 0.001 0.001 0.001
Mo 0.808 0.399 0.399
Mo 0.399 0.399 0.399
Mo 0.399 0.399 0.808
Mo 0.399 0.808 0.399
S 0.635 0.635 0.635
S 0.137 0.595 0.137
S 0.137 0.137 0.137
S 0.137 0.137 0.595
S 0.635 0.635 0.100
S 0.595 0.137 0.137
S 0.100 0.635 0.635
S 0.635 0.100 0.635 |
Below is a description of a material. | The chemical formula is: MgPSe3.
The XRD pattern shows main peaks at: 26.5°(0.26), 27.7°(0.06), 30.8°(1.0), 38.7°(0.2), 49.0°(0.25), 49.5°(0.24), 56.6°(0.18), 59.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-5809 | 7.70 7.70 7.70
49 49 49
Mg 0.168 0.168 0.168
Mg 0.832 0.832 0.832
P 0.444 0.444 0.444
P 0.556 0.556 0.556
Se 0.410 0.749 0.084
Se 0.084 0.410 0.749
Se 0.749 0.084 0.410
Se 0.590 0.251 0.916
Se 0.916 0.590 0.251
Se 0.251 0.916 0.590 |
Below is a description of a material. | The chemical formula is: HfSnRh2.
The XRD pattern shows main peaks at: 38.4°(1.0), 42.3°(0.37), 49.1°(0.12), 61.3°(0.13), 66.7°(0.2), 74.7°(0.29), 82.2°(0.11), 84.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189568 | 4.28 4.79 4.79
53 63 63
Rh 1.000 0.000 1.000
Rh 0.500 0.500 0.500
Hf 0.750 0.750 0.750
Sn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BaSn2Se.
The XRD pattern shows main peaks at: 24.5°(0.22), 29.8°(0.8), 33.2°(1.0), 38.6°(0.07), 42.6°(0.32), 44.3°(0.06), 49.5°(0.14), 55.0°(0.44), 58.8°(0.08), 61.4°(0.07), 61.8°(0.11), 70.1°(0.15), 70.9°(0.06), 72.0°(0.11), 83.0°(0.06), 86.4°(0.08), 87.4°(0.14).
Generate atomic structure desc... | JVASP-65533 | 4.24 4.24 7.00
90 90 90
Ba 0.500 0.500 0.000
Sn 0.000 0.000 0.697
Sn 0.000 0.000 0.303
Se 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeTcSn2.
The XRD pattern shows main peaks at: 19.3°(0.21), 26.9°(0.1), 27.5°(0.18), 33.3°(0.11), 38.8°(1.0), 39.2°(0.46), 44.1°(0.05), 48.2°(0.09), 52.4°(0.06), 55.5°(0.08), 56.7°(0.17), 70.0°(0.18), 70.9°(0.33), 83.3°(0.12), 84.4°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-74990 | 4.59 4.59 3.31
90 90 90
Be 0.000 0.000 0.500
Tc 0.500 0.500 0.500
Sn 0.500 0.000 0.000
Sn 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CaMg2Ni2.
The XRD pattern shows main peaks at: 16.1°(0.07), 23.0°(0.74), 30.6°(0.71), 32.6°(0.67), 34.8°(1.0), 43.8°(0.83), 45.2°(0.47), 46.7°(0.79), 49.6°(0.06), 50.1°(0.17), 55.7°(0.25), 63.7°(0.26), 65.9°(0.5), 68.3°(0.09), 72.3°(0.09), 74.7°(0.2), 81.5°(0.14), 82.6°(0.14), 84.5°(0.1), 89.6°... | JVASP-155703 | 6.24 6.24 6.24
141 141 55
Ca 0.000 0.000 0.000
Mg 0.750 0.250 0.500
Mg 0.250 0.750 0.500
Ni 0.397 0.397 -0.000
Ni 0.603 0.603 -0.000 |
Below is a description of a material. | The chemical formula is: GeS.
The XRD pattern shows main peaks at: 8.4°(0.7), 11.9°(1.0), 14.6°(0.92), 16.9°(0.49), 18.9°(0.51), 20.6°(0.1), 24.0°(0.25), 25.5°(0.24), 26.9°(0.32), 28.2°(0.38), 34.2°(0.08), 35.3°(0.11), 36.0°(0.11), 37.3°(0.12), 38.4°(0.12), 39.4°(0.15), 42.0°(0.07), 43.8°(0.14), 44.9°(0.09), 51.2°(0.09... | JVASP-139016 | 7.41 7.41 10.58
90 90 90
Ge 0.000 0.000 0.892
S 0.000 0.000 0.108 |
Below is a description of a material. | The chemical formula is: KN.
The XRD pattern shows main peaks at: 27.0°(0.44), 31.3°(1.0), 44.9°(0.64), 53.2°(0.21), 55.8°(0.18), 65.4°(0.08), 72.1°(0.08), 74.3°(0.21), 82.8°(0.16), 89.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78536 | 4.04 4.04 5.71
90 90 90
K 0.000 0.500 0.250
K 0.500 0.000 0.750
N 0.000 0.500 0.750
N 0.500 0.000 0.250 |
Below is a description of a material. | The chemical formula is: ReHO.
The XRD pattern shows main peaks at: 8.9°(1.0), 16.8°(0.53), 17.8°(0.17), 19.0°(0.77), 23.8°(0.25), 24.6°(0.32), 25.4°(0.37), 29.9°(0.21), 31.8°(0.15), 33.9°(0.1), 35.1°(0.17), 36.2°(0.12), 38.0°(0.15), 38.5°(0.1), 39.1°(0.24), 40.1°(0.09), 42.3°(0.17), 43.7°(0.14), 47.2°(0.11), 55.7°(0.0... | JVASP-118472 | 5.29 5.29 9.95
90 90 90
Re 0.000 0.000 0.835
H 0.000 0.000 0.220
O 0.000 0.000 0.011 |
Below is a description of a material. | The chemical formula is: Li2NdHg.
The XRD pattern shows main peaks at: 25.9°(1.0), 36.9°(0.98), 45.6°(0.32), 53.2°(0.16), 60.0°(0.39), 66.5°(0.34), 78.5°(0.11), 84.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161447 | 4.87 4.87 4.87
60 60 60
Li 0.000 0.000 0.000
Li 0.500 0.500 0.500
Nd 0.750 0.750 0.750
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: K2BeO2.
The XRD pattern shows main peaks at: 23.0°(0.12), 29.7°(0.28), 30.3°(0.93), 31.9°(0.81), 33.3°(1.0), 34.2°(0.75), 35.7°(0.34), 36.5°(0.46), 37.7°(0.16), 38.9°(0.23), 39.8°(0.76), 41.0°(0.14), 42.2°(0.36), 43.0°(0.15), 49.5°(0.13), 50.7°(0.23), 51.7°(0.29), 55.5°(0.15), 72.3°(0.11), 75.7... | JVASP-163392 | 5.73 7.07 7.88
90 90 90
K 0.661 0.139 0.111
K 0.161 0.361 0.389
K 0.339 0.861 0.889
K 0.839 0.639 0.611
K 0.564 0.597 0.240
K 0.064 0.903 0.260
K 0.436 0.403 0.760
K 0.936 0.097 0.740
Be 0.085 0.374 0.024
Be 0.415 0.874 0.524
Be 0.915 0.626 0.976
Be 0.585 0.126 0.476
O 0.794 0.810 0.942
O 0.641 0.916 0.410
O 0.359 0.08... |
Below is a description of a material. | The chemical formula is: NiWO4.
The XRD pattern shows main peaks at: 19.5°(0.24), 23.8°(0.24), 25.1°(0.3), 31.0°(1.0), 31.6°(0.08), 36.2°(0.17), 36.5°(0.19), 39.6°(0.1), 41.7°(0.08), 44.6°(0.1), 46.7°(0.08), 48.8°(0.06), 51.5°(0.05), 52.5°(0.15), 55.0°(0.23), 61.9°(0.15), 65.4°(0.21), 66.5°(0.12), 69.0°(0.05).
Generate... | JVASP-151835 | 4.96 4.55 7.26
51 89 89
Ni 0.250 0.848 0.652
Ni 0.750 0.152 0.348
W 0.250 0.823 0.177
W 0.750 0.177 0.823
O 0.928 0.115 0.110
O 0.572 0.665 0.110
O 0.072 0.885 0.890
O 0.428 0.335 0.890
O 0.408 0.882 0.381
O 0.092 0.357 0.381
O 0.592 0.118 0.619
O 0.908 0.643 0.619 |
Below is a description of a material. | The chemical formula is: V2CoMo.
The XRD pattern shows main peaks at: 26.0°(0.05), 30.1°(0.08), 43.0°(1.0), 62.5°(0.17), 78.9°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157314 | 4.20 4.20 4.20
60 60 60
V 0.500 0.500 0.500
V 0.000 0.000 0.000
Co 0.250 0.250 0.250
Mo 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Br.
The XRD pattern shows main peaks at: 25.5°(0.55), 33.7°(1.0), 44.6°(0.23), 50.4°(0.3), 52.1°(0.28), 64.9°(0.07), 71.2°(0.12), 75.2°(0.19), 75.7°(0.09), 86.5°(0.14), 88.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25111 | 2.87 2.87 4.04
110 110 90
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PrNi2As2.
The XRD pattern shows main peaks at: 30.7°(0.24), 34.2°(1.0), 35.5°(0.82), 43.9°(0.64), 47.4°(0.1), 50.0°(0.21), 56.8°(0.47), 63.4°(0.23), 63.8°(0.19), 74.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92407 | 4.12 4.12 5.87
110 110 90
Pr 0.000 0.000 0.000
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500
As 0.366 0.366 0.732
As 0.634 0.634 0.268 |
Below is a description of a material. | The chemical formula is: BeGa4Pt.
The XRD pattern shows main peaks at: 20.8°(0.31), 24.0°(0.3), 34.3°(0.3), 40.4°(1.0), 42.3°(0.36), 54.0°(0.08), 55.5°(0.14), 61.4°(0.11), 65.5°(0.3), 72.2°(0.22), 76.1°(0.06), 77.4°(0.06), 82.4°(0.05), 86.2°(0.11), 87.4°(0.13).
Generate atomic structure description with lattice lengths... | JVASP-70112 | 5.23 5.23 5.23
60 60 60
Be 0.000 0.000 0.000
Ga 0.125 0.625 0.625
Ga 0.625 0.625 0.625
Ga 0.625 0.125 0.625
Ga 0.625 0.625 0.125
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: KBaMo.
The XRD pattern shows main peaks at: 19.3°(0.58), 31.7°(1.0), 37.4°(0.33), 45.4°(0.16), 49.8°(0.15), 56.5°(0.35), 60.2°(0.11), 66.2°(0.11), 69.7°(0.11), 75.3°(0.15), 87.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64466 | 5.64 5.64 5.64
60 60 60
K 0.000 0.000 0.000
Ba 0.750 0.750 0.750
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CoO2.
The XRD pattern shows main peaks at: 20.8°(1.0), 37.5°(0.29), 39.5°(0.26), 40.9°(0.06), 46.8°(0.22), 51.6°(0.17), 63.5°(0.1), 66.2°(0.17), 70.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119887 | 2.82 8.71 4.89
95 90 99
Co 0.543 0.994 0.499
Co 0.292 0.494 0.749
Co 0.043 0.994 -0.001
Co 0.792 0.494 0.249
O -0.011 0.885 0.647
O 0.489 0.885 0.147
O 0.346 0.603 0.435
O 0.846 0.603 0.935
O 0.097 0.103 0.352
O 0.597 0.103 0.852
O 0.738 0.385 0.564
O 0.238 0.386 0.064 |
Below is a description of a material. | The chemical formula is: Li2CoSb.
The XRD pattern shows main peaks at: 25.3°(1.0), 29.3°(0.1), 41.8°(0.84), 49.5°(0.5), 60.7°(0.14), 66.8°(0.19), 76.4°(0.29), 82.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180486 | 4.32 4.32 4.32
60 60 60
Li 0.500 0.500 0.500
Li 0.250 0.250 0.250
Co 0.750 0.750 0.750
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PrMnGeO5.
The XRD pattern shows main peaks at: 17.8°(0.15), 19.2°(0.09), 26.9°(0.09), 27.6°(0.2), 28.3°(1.0), 31.3°(0.18), 32.2°(0.48), 32.6°(0.77), 35.1°(0.07), 36.0°(0.14), 37.7°(0.23), 40.5°(0.13), 43.1°(0.16), 47.3°(0.09), 50.4°(0.2), 52.4°(0.23), 53.3°(0.13), 54.6°(0.11), 60.2°(0.12), 65.1... | JVASP-113902 | 5.70 5.78 7.01
106 99 107
Pr 0.350 0.191 0.719
Pr 0.650 0.809 0.281
Mn 0.000 0.500 0.000
Mn 0.000 0.500 0.500
Ge 0.697 0.839 0.768
Ge 0.303 0.161 0.232
O 0.940 0.585 0.263
O 0.269 0.845 0.075
O 0.060 0.170 0.366
O 0.731 0.155 0.925
O 0.578 0.242 0.441
O 0.324 0.366 0.086
O 0.676 0.634 0.914
O 0.940 0.830 0.634
O 0.060 ... |
Below is a description of a material. | The chemical formula is: HoAsS.
The XRD pattern shows main peaks at: 21.1°(0.1), 25.5°(0.98), 31.5°(0.08), 33.1°(0.24), 34.8°(0.63), 39.5°(1.0), 47.6°(0.25), 54.7°(0.2), 69.4°(0.14), 80.2°(0.05), 82.7°(0.11), 83.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168214 | 3.84 3.82 16.88
90 90 89
Ho 0.763 0.250 0.146
Ho 0.737 0.250 0.646
Ho 0.237 0.750 0.854
Ho 0.263 0.750 0.354
As 0.777 0.750 0.499
As 0.723 0.750 0.999
As 0.223 0.250 0.501
As 0.277 0.250 0.001
S 0.760 0.250 0.313
S 0.740 0.250 0.813
S 0.240 0.750 0.687
S 0.260 0.750 0.187 |
Below is a description of a material. | The chemical formula is: Ca3C3Cl2.
The XRD pattern shows main peaks at: 25.4°(0.11), 26.8°(0.43), 31.1°(0.17), 31.8°(0.37), 33.9°(0.15), 34.6°(1.0), 35.6°(0.1), 40.5°(0.06), 41.9°(0.06), 43.5°(0.09), 44.2°(0.14), 46.5°(0.21), 47.5°(0.21), 55.4°(0.1), 69.1°(0.05), 79.9°(0.07).
Generate atomic structure description with ... | JVASP-24685 | 3.83 6.96 11.52
90 90 105
Ca 0.344 0.688 0.561
Ca 0.656 0.312 0.439
Ca 0.656 0.312 0.061
Ca 0.344 0.688 0.939
Ca 0.879 0.758 0.250
Ca 0.121 0.242 0.750
C 0.733 0.466 0.635
C 0.267 0.534 0.365
C 0.267 0.534 0.135
C 0.733 0.466 0.865
C 0.257 0.513 0.250
C 0.743 0.487 0.750
Cl 0.471 0.941 0.750
Cl 0.529 0.059 0.250
Cl 0.0... |
Below is a description of a material. | The chemical formula is: ThNi2Ge2.
The XRD pattern shows main peaks at: 18.2°(0.06), 23.1°(0.35), 30.2°(0.36), 35.0°(1.0), 35.5°(0.94), 36.9°(0.08), 43.2°(0.62), 51.8°(0.26), 56.7°(0.48), 62.7°(0.19), 65.6°(0.22), 74.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-15174 | 4.19 4.19 5.70
111 111 90
Th 0.000 0.000 0.000
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500
Ge 0.633 0.633 0.265
Ge 0.367 0.367 0.735 |
Below is a description of a material. | The chemical formula is: Ba2Ge3.
The XRD pattern shows main peaks at: 14.3°(0.11), 21.8°(0.11), 23.3°(0.08), 24.0°(0.18), 28.8°(0.58), 30.5°(1.0), 37.9°(0.22), 39.5°(0.42), 43.4°(0.17), 48.5°(0.15), 52.9°(0.2), 55.9°(0.28), 58.9°(0.12), 67.1°(0.11), 77.0°(0.06).
Generate atomic structure description with lattice length... | JVASP-100853 | 6.60 6.60 6.60
143 103 87
Ba 0.778 0.765 0.013
Ba 0.248 0.235 0.013
Ge 0.646 0.000 0.646
Ge 0.341 0.000 0.341
Ge 0.822 0.500 0.322 |
Below is a description of a material. | The chemical formula is: W3N4.
The XRD pattern shows main peaks at: 21.0°(0.46), 29.8°(0.38), 36.8°(1.0), 42.7°(0.82), 48.0°(0.21), 53.0°(0.15), 62.0°(0.51), 66.2°(0.1), 70.3°(0.07), 74.3°(0.44), 78.2°(0.17), 85.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16015 | 4.24 4.24 4.24
90 90 90
W 0.000 0.500 0.500
W 0.500 0.000 0.500
W 0.500 0.500 0.000
N 0.500 0.500 0.500
N 0.000 0.500 0.000
N 0.000 0.000 0.500
N 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CuIO2.
The XRD pattern shows main peaks at: 14.5°(0.12), 28.1°(1.0), 29.2°(0.54), 32.5°(0.38), 33.7°(0.83), 38.0°(0.47), 48.2°(0.16), 50.2°(0.32), 51.5°(0.36), 54.7°(0.08), 56.5°(0.1), 58.1°(0.1), 58.7°(0.2), 59.5°(0.13), 60.6°(0.2), 61.1°(0.1), 68.6°(0.13), 69.1°(0.1), 70.9°(0.08), 77.7°(0.09)... | JVASP-181075 | 3.73 3.73 6.57
109 109 48
Cu 0.500 0.500 -0.000
I 1.000 1.000 0.500
O 0.049 0.049 0.841
O 0.951 0.951 0.159 |
Below is a description of a material. | The chemical formula is: BeCuBr4.
The XRD pattern shows main peaks at: 17.4°(0.46), 20.1°(0.07), 28.5°(0.09), 33.6°(1.0), 35.1°(0.65), 40.8°(0.19), 44.6°(0.12), 53.8°(0.33), 59.0°(0.29), 62.0°(0.09), 69.7°(0.11), 70.6°(0.25), 76.9°(0.05), 84.0°(0.21).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-65246 | 6.26 6.26 6.26
60 60 60
Be 0.000 0.000 0.000
Cu 0.250 0.250 0.250
Br 0.126 0.625 0.625
Br 0.625 0.625 0.625
Br 0.625 0.126 0.625
Br 0.625 0.625 0.126 |
Below is a description of a material. | The chemical formula is: CeCd2Ag.
The XRD pattern shows main peaks at: 35.3°(1.0), 50.8°(0.17), 63.4°(0.36), 74.7°(0.11), 85.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8740 | 5.08 5.08 5.08
60 60 60
Ce 0.500 0.500 0.500
Cd 0.250 0.250 0.250
Cd 0.750 0.750 0.750
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LuHfRh2.
The XRD pattern shows main peaks at: 27.0°(0.07), 38.6°(1.0), 55.8°(0.16), 69.9°(0.35), 82.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100200 | 4.66 4.66 4.66
60 60 60
Lu 0.000 0.000 0.000
Hf 0.500 0.500 0.500
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YbTaO4.
The XRD pattern shows main peaks at: 28.6°(1.0), 30.1°(0.88), 33.4°(0.35), 35.2°(0.2), 47.3°(0.17), 47.9°(0.28), 49.4°(0.24), 51.2°(0.13), 55.7°(0.16), 56.8°(0.11), 57.7°(0.11), 58.4°(0.24), 59.1°(0.1), 60.9°(0.13), 62.5°(0.09), 76.4°(0.06).
Generate atomic structure description with la... | JVASP-34463 | 5.11 5.40 6.44
112 111 94
Yb 0.622 0.372 0.244
Yb 0.378 0.628 0.756
Ta 0.145 0.895 0.290
Ta 0.855 0.105 0.710
O -0.001 0.794 0.556
O 0.797 0.612 0.066
O 0.001 0.206 0.444
O 0.269 0.954 0.066
O 0.731 0.046 0.934
O 0.443 0.738 0.444
O 0.203 0.388 0.934
O 0.557 0.262 0.556 |
Below is a description of a material. | The chemical formula is: SrSiH.
The XRD pattern shows main peaks at: 20.8°(0.17), 25.8°(0.45), 29.2°(1.0), 31.0°(0.64), 31.4°(0.23), 35.6°(0.19), 43.9°(0.13), 45.1°(0.45), 46.9°(0.2), 53.7°(0.05), 54.6°(0.17), 56.0°(0.29), 64.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-189873 | 4.02 4.02 8.85
76 76 59
Sr 0.900 0.900 0.801
Sr 0.100 0.100 0.199
Si 0.650 0.650 0.549
Si 0.350 0.350 0.451
H 0.802 0.802 0.095
H 0.198 0.198 0.905 |
Below is a description of a material. | The chemical formula is: GaAgS2.
The XRD pattern shows main peaks at: 27.7°(1.0), 31.0°(0.13), 34.1°(0.05), 44.5°(0.2), 46.8°(0.35), 53.2°(0.3), 57.2°(0.12), 64.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-165345 | 5.76 5.76 6.65
64 64 90
Ga 0.619 0.369 0.994
Ga 0.369 0.619 0.494
Ag 0.119 0.870 0.994
Ag 0.870 0.119 0.494
S 0.495 0.280 0.744
S 0.708 0.994 0.244
S 0.280 0.495 0.244
S 0.994 0.708 0.744 |
Below is a description of a material. | The chemical formula is: V2O5.
The XRD pattern shows main peaks at: 15.1°(0.46), 20.9°(1.0), 22.2°(0.31), 26.2°(0.85), 30.5°(0.4), 31.1°(0.28), 32.8°(0.3), 34.1°(0.32), 42.5°(0.15), 43.2°(0.1), 45.4°(0.15), 48.7°(0.15), 49.9°(0.15), 51.3°(0.24), 56.0°(0.11), 59.6°(0.12), 60.9°(0.09), 73.5°(0.08), 76.3°(0.1).
Generate a... | JVASP-142566 | 3.56 4.25 11.74
90 90 90
V 0.000 0.610 0.648
V 0.500 0.390 0.852
V 0.500 0.390 0.148
V 0.000 0.610 0.352
O 0.500 0.503 0.682
O 0.000 0.497 0.818
O 0.000 0.497 0.182
O 0.500 0.503 0.318
O 0.000 0.989 0.354
O 0.500 0.011 0.146
O 0.500 0.011 0.854
O 0.500 0.493 0.000
O 0.000 0.507 0.500
O 0.000 0.989 0.646 |
Below is a description of a material. | The chemical formula is: TiAl.
The XRD pattern shows main peaks at: 19.1°(0.13), 36.1°(0.31), 38.8°(0.27), 41.2°(1.0), 54.0°(0.17), 64.9°(0.15), 71.8°(0.17), 78.3°(0.18), 79.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107513 | 2.87 2.87 4.64
90 90 120
Ti 0.000 0.000 0.000
Al 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: SmAsS.
The XRD pattern shows main peaks at: 20.6°(0.08), 25.1°(0.64), 30.8°(0.05), 32.4°(0.23), 34.0°(0.64), 38.7°(1.0), 46.2°(0.23), 46.7°(0.25), 53.3°(0.15), 53.6°(0.14), 67.8°(0.15), 78.5°(0.06), 80.4°(0.1), 81.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-25666 | 3.89 3.93 17.28
90 90 90
Sm 0.250 0.234 0.854
Sm 0.750 0.734 0.646
Sm 0.750 0.766 0.146
Sm 0.250 0.266 0.354
As 0.250 0.786 0.498
As 0.750 0.214 0.502
As 0.250 0.714 0.998
As 0.750 0.286 0.002
S 0.250 0.236 0.687
S 0.250 0.264 0.187
S 0.750 0.764 0.313
S 0.750 0.736 0.813 |
Below is a description of a material. | The chemical formula is: H2Cl.
The XRD pattern shows main peaks at: 27.7°(0.74), 28.6°(1.0), 31.5°(0.45), 34.8°(0.28), 43.8°(0.12), 46.4°(0.09), 47.6°(0.28), 53.2°(0.17), 54.8°(0.15), 57.1°(0.09), 58.1°(0.08), 58.7°(0.09), 59.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-120215 | 6.48 3.84 3.92
59 52 32
H 0.586 0.758 0.003
H 0.366 0.199 0.003
Cl 0.976 0.978 0.003 |
Below is a description of a material. | The chemical formula is: BaNiMo2.
The XRD pattern shows main peaks at: 11.7°(0.18), 23.5°(0.25), 29.3°(0.7), 35.9°(0.83), 38.2°(1.0), 45.4°(0.16), 53.2°(0.32), 55.0°(0.18), 55.4°(0.17), 55.9°(0.52), 63.6°(0.11), 67.5°(0.23), 81.8°(0.1), 82.5°(0.2).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-65357 | 3.32 3.34 7.57
90 90 90
Ba 0.500 0.500 0.500
Ni 0.500 0.500 0.000
Mo 0.000 0.000 0.852
Mo 0.000 0.000 0.148 |
Below is a description of a material. | The chemical formula is: Mo3WSe6S2.
The XRD pattern shows main peaks at: 2.5°(1.0).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28704 | 3.29 3.29 34.98
90 90 120
Mo 0.333 0.667 0.097
Mo 0.667 0.333 0.279
Mo 0.667 0.333 0.658
W 0.333 0.667 0.469
Se 0.333 0.667 0.327
Se 0.333 0.667 0.707
Se 0.667 0.333 0.420
Se 0.667 0.333 0.517
Se 0.333 0.667 0.231
Se 0.333 0.667 0.610
S 0.667 0.333 0.053
S 0.667 0.333 0.141 |
Below is a description of a material. | The chemical formula is: Te2MoW3Se6.
The XRD pattern shows main peaks at: 2.5°(1.0), 4.9°(0.2), 12.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28863 | 3.38 3.38 35.85
90 90 119
Te 0.333 0.667 0.334
Te 0.333 0.667 0.229
Mo 0.667 0.333 0.282
W 0.333 0.666 0.088
W 0.333 0.667 0.475
W 0.667 0.334 0.658
Se 0.334 0.668 0.705
Se 0.666 0.333 0.041
Se 0.667 0.333 0.429
Se 0.666 0.333 0.134
Se 0.667 0.334 0.522
Se 0.334 0.667 0.612 |
Below is a description of a material. | The chemical formula is: Tb8Pb.
The XRD pattern shows main peaks at: 3.5°(0.11), 29.2°(0.41), 29.9°(0.11), 32.4°(1.0), 34.1°(0.88), 51.4°(0.4), 62.1°(0.15), 63.1°(0.14), 84.7°(0.14), 85.7°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130082 | 3.56 3.56 25.19
90 90 120
Tb 0.000 0.000 0.218
Tb 0.667 0.333 0.106
Tb 0.667 0.333 0.331
Tb 0.667 0.333 0.556
Tb 0.333 0.667 0.444
Tb 0.333 0.667 0.669
Tb 0.333 0.667 0.894
Tb 0.000 0.000 0.782
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2ZnAu.
The XRD pattern shows main peaks at: 25.1°(0.41), 29.0°(1.0), 41.5°(0.9), 49.1°(0.23), 51.4°(0.27), 60.1°(0.15), 66.2°(0.1), 68.1°(0.35), 75.7°(0.31), 81.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39799 | 4.35 4.35 4.35
60 60 60
Li 0.000 0.000 0.000
Li 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SrBeTe2.
The XRD pattern shows main peaks at: 13.0°(0.18), 20.6°(0.14), 24.4°(0.71), 26.1°(0.45), 29.3°(1.0), 32.1°(0.09), 33.4°(0.43), 39.6°(0.61), 41.9°(0.38), 45.0°(0.17), 49.1°(0.19), 50.0°(0.35), 54.6°(0.23), 58.1°(0.21), 60.7°(0.13), 63.1°(0.11), 67.2°(0.12), 68.8°(0.17), 74.1°(0.22), 74.... | JVASP-67807 | 4.31 4.31 6.84
90 90 90
Sr 0.500 0.500 0.851
Be 0.000 0.000 0.308
Te 0.000 0.000 0.964
Te 0.500 0.500 0.377 |
Below is a description of a material. | The chemical formula is: Hf2MnOs.
The XRD pattern shows main peaks at: 24.0°(0.12), 39.7°(1.0), 57.4°(0.16), 72.1°(0.36), 85.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108632 | 4.54 4.54 4.54
60 60 60
Hf 0.250 0.250 0.250
Hf 0.750 0.750 0.750
Mn 0.500 0.500 0.500
Os 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Al2Pt.
The XRD pattern shows main peaks at: 25.9°(1.0), 30.0°(0.26), 43.0°(0.7), 50.9°(0.53), 53.3°(0.07), 62.4°(0.11), 68.8°(0.21), 78.8°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19733 | 4.21 4.21 4.21
60 60 60
Al 0.250 0.250 0.250
Al 0.750 0.750 0.750
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrZnIr2.
The XRD pattern shows main peaks at: 28.1°(0.21), 40.2°(1.0), 49.7°(0.06), 58.1°(0.18), 73.0°(0.36), 86.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109917 | 4.49 4.49 4.49
60 60 60
Zr 0.000 0.000 0.000
Zn 0.500 0.500 0.500
Ir 0.250 0.250 0.250
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LuAl3.
The XRD pattern shows main peaks at: 21.1°(1.0), 30.0°(0.85), 37.0°(0.96), 43.0°(0.44), 48.3°(0.45), 53.3°(0.35), 62.4°(0.31), 66.6°(0.22), 70.7°(0.13), 74.8°(0.37), 78.7°(0.11), 82.6°(0.1), 86.5°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-8023 | 4.21 4.21 4.21
90 90 90
Lu 0.000 0.000 0.000
Al 0.000 0.500 0.500
Al 0.500 0.500 0.000
Al 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: BaSnH.
The XRD pattern shows main peaks at: 11.6°(0.1), 23.3°(0.44), 24.4°(1.0), 34.0°(0.74), 34.7°(0.39), 42.3°(0.39), 43.4°(0.14), 49.9°(0.14), 50.4°(0.09), 54.3°(0.12), 55.8°(0.18), 56.3°(0.2), 60.4°(0.08), 61.8°(0.27), 66.5°(0.08), 68.3°(0.07), 71.9°(0.07), 76.9°(0.08), 87.5°(0.08), 88.4°(0... | JVASP-135849 | 3.65 3.65 7.62
90 90 90
Ba 0.000 0.000 0.003
Sn 0.000 0.000 0.566
H 0.000 0.000 0.331 |
Below is a description of a material. | The chemical formula is: MgVF.
The XRD pattern shows main peaks at: 22.6°(0.4), 36.1°(0.44), 39.7°(1.0), 43.0°(0.13), 46.1°(0.05), 54.7°(0.67), 72.0°(0.14), 83.3°(0.18), 85.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134785 | 4.54 4.54 2.49
90 90 120
Mg 0.333 0.667 0.000
V 0.667 0.333 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrLiGe2.
The XRD pattern shows main peaks at: 15.3°(0.39), 21.4°(0.22), 24.8°(0.57), 28.2°(0.74), 30.9°(0.6), 32.0°(1.0), 33.2°(0.66), 38.3°(0.25), 39.2°(0.2), 40.6°(0.49), 44.5°(0.45), 45.1°(0.51), 51.9°(0.27), 55.7°(0.15), 57.0°(0.16), 58.8°(0.14), 61.8°(0.3), 68.4°(0.11), 69.1°(0.14), 73.4°(... | JVASP-21854 | 4.45 7.19 11.56
90 90 90
Sr 0.250 0.638 0.355
Sr 0.750 0.362 0.645
Sr 0.250 0.138 0.145
Sr 0.750 0.862 0.855
Li 0.250 0.625 0.061
Li 0.750 0.375 0.939
Li 0.250 0.125 0.439
Li 0.750 0.875 0.561
Ge 0.750 0.963 0.340
Ge 0.250 0.037 0.660
Ge 0.750 0.463 0.160
Ge 0.250 0.537 0.840
Ge 0.750 0.811 0.142
Ge 0.250 0.189 0.858
G... |
Below is a description of a material. | The chemical formula is: LiNbF6.
The XRD pattern shows main peaks at: 19.3°(0.36), 21.0°(0.84), 23.8°(1.0), 32.9°(0.21), 38.4°(0.16), 40.3°(0.61), 41.2°(0.12), 48.8°(0.2), 53.5°(0.36), 55.2°(0.13), 56.5°(0.14), 61.5°(0.11), 62.9°(0.15), 71.6°(0.09).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-91799 | 5.12 5.12 5.48
62 62 60
Li 0.500 0.500 0.500
Nb 0.000 0.000 0.000
F 0.879 0.631 0.244
F 0.631 0.246 0.244
F 0.246 0.879 0.244
F 0.121 0.369 0.756
F 0.369 0.754 0.756
F 0.754 0.121 0.756 |
Below is a description of a material. | The chemical formula is: YbPm2Al.
The XRD pattern shows main peaks at: 20.1°(0.18), 33.2°(1.0), 39.1°(0.11), 47.6°(0.17), 59.3°(0.38), 69.7°(0.11), 79.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157451 | 5.40 5.40 5.40
60 60 60
Yb 0.750 0.750 0.750
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Al 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TbCu5.
The XRD pattern shows main peaks at: 21.7°(0.05), 29.9°(0.48), 35.6°(0.3), 41.4°(0.34), 42.1°(1.0), 44.1°(0.25), 47.2°(0.07), 58.0°(0.14), 60.5°(0.13), 62.1°(0.2), 68.4°(0.22), 75.5°(0.14), 79.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-16500 | 5.04 5.04 4.10
90 90 120
Tb 0.000 0.000 0.000
Cu -0.000 0.500 0.500
Cu 0.333 0.667 0.000
Cu 0.667 0.333 0.000
Cu 0.500 0.500 0.500
Cu 0.500 0.000 0.500 |
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