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: KNi3.
The XRD pattern shows main peaks at: 39.6°(1.0), 46.1°(0.45), 67.2°(0.28), 80.9°(0.32), 85.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126304 | 3.94 3.94 3.94
90 90 90
K 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: TiTcRh2.
The XRD pattern shows main peaks at: 15.0°(0.06), 32.1°(0.08), 40.4°(0.56), 41.8°(1.0), 58.4°(0.2), 62.8°(0.08), 74.4°(0.35), 77.4°(0.12), 87.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185033 | 3.16 3.16 5.92
90 90 90
Ti 0.500 0.500 0.613
Tc -0.000 0.000 0.888
Rh 0.000 0.000 0.402
Rh 0.500 0.500 0.107 |
Below is a description of a material. | The chemical formula is: SrZnO.
The XRD pattern shows main peaks at: 22.1°(0.56), 26.4°(0.58), 34.7°(0.81), 38.8°(1.0), 45.1°(0.09), 47.6°(0.75), 53.1°(0.22), 54.4°(0.12), 67.7°(0.21), 68.8°(0.31), 70.3°(0.16), 76.5°(0.17), 83.3°(0.1), 89.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-183451 | 4.64 4.64 3.37
90 90 120
Sr 0.333 0.667 0.500
Zn 0.667 0.333 0.500
O -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: BeNiPb2.
The XRD pattern shows main peaks at: 21.4°(0.3), 30.6°(1.0), 32.3°(0.19), 36.0°(0.3), 40.9°(0.37), 43.7°(0.27), 46.6°(0.19), 53.0°(0.27), 55.2°(0.05), 59.2°(0.12), 63.7°(0.08), 68.1°(0.21), 69.1°(0.09), 70.9°(0.1), 76.4°(0.12), 83.4°(0.09), 85.3°(0.06).
Generate atomic structure descri... | JVASP-71431 | 3.12 3.12 8.32
90 90 90
Be 0.000 0.000 0.590
Ni 0.500 0.500 0.666
Pb 0.000 0.000 0.917
Pb 0.500 0.500 0.327 |
Below is a description of a material. | The chemical formula is: ErAsSe.
The XRD pattern shows main peaks at: 20.5°(0.12), 25.0°(0.5), 32.4°(0.42), 34.1°(0.72), 38.7°(1.0), 46.4°(0.26), 46.7°(0.29), 53.5°(0.09), 67.9°(0.18), 78.5°(0.06), 80.7°(0.09), 81.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149388 | 3.89 3.92 17.30
90 90 90
Er 0.750 0.236 0.860
Er 0.750 0.264 0.360
Er 0.250 0.764 0.140
Er 0.250 0.736 0.640
As 0.250 0.218 0.502
As 0.250 0.282 0.002
As 0.750 0.782 0.498
As 0.750 0.718 0.998
Se 0.750 0.238 0.688
Se 0.750 0.262 0.188
Se 0.250 0.762 0.312
Se 0.250 0.738 0.812 |
Below is a description of a material. | The chemical formula is: Sm3Mg2CrS8.
The XRD pattern shows main peaks at: 13.8°(0.6), 26.6°(0.8), 27.8°(0.15), 32.4°(1.0), 35.5°(0.25), 42.7°(0.12), 46.1°(0.41), 46.8°(0.43), 48.5°(0.07), 57.5°(0.17), 58.6°(0.05), 67.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-146074 | 7.87 7.77 7.87
59 59 59
Sm 0.500 0.500 0.500
Sm 0.500 0.500 0.000
Sm 0.000 0.500 0.500
Mg 0.874 0.877 0.874
Mg 0.126 0.123 0.126
Cr 0.500 1.000 0.500
S 0.729 0.775 0.729
S 0.271 0.225 0.733
S 0.253 0.742 0.253
S 0.733 0.225 0.271
S 0.747 0.258 0.747
S 0.267 0.775 0.729
S 0.271 0.225 0.271
S 0.729 0.775 0.267 |
Below is a description of a material. | The chemical formula is: CoH2O2.
The XRD pattern shows main peaks at: 16.4°(1.0), 33.1°(0.28), 35.8°(0.55), 37.2°(0.1), 37.7°(0.15), 38.8°(0.13), 41.9°(0.2), 43.7°(0.13), 45.4°(0.11), 53.4°(0.17), 55.0°(0.08), 58.3°(0.11), 62.3°(0.07), 65.9°(0.07), 68.5°(0.14).
Generate atomic structure description with lattice lengths... | JVASP-29816 | 2.84 2.98 6.32
90 64 121
Co 0.042 0.021 0.127
H 0.175 0.588 -0.269
H -0.130 0.435 0.557
O 0.758 0.379 0.738
O 0.155 0.578 0.277 |
Below is a description of a material. | The chemical formula is: CuCl2.
The XRD pattern shows main peaks at: 15.8°(1.0), 25.8°(0.38), 30.3°(0.83), 31.0°(0.31), 38.7°(0.92), 41.4°(0.07), 49.0°(0.41), 50.9°(0.38), 54.6°(0.11), 55.5°(0.15), 56.2°(0.11), 63.1°(0.08), 63.6°(0.08), 64.6°(0.15), 66.9°(0.06), 75.0°(0.1), 78.0°(0.09), 83.0°(0.08).
Generate atomic str... | JVASP-8734 | 3.31 3.83 5.84
83 73 64
Cu 0.000 0.000 0.000
Cl 0.262 0.230 0.246
Cl 0.738 0.770 0.754 |
Below is a description of a material. | The chemical formula is: PbBrCl.
The XRD pattern shows main peaks at: 22.3°(1.0), 27.3°(0.91), 29.8°(0.39), 35.7°(0.98), 39.0°(0.57), 39.4°(0.68), 45.5°(0.51), 49.9°(0.16), 56.7°(0.48), 61.5°(0.16), 62.1°(0.21), 63.8°(0.19), 65.4°(0.05), 68.6°(0.28), 71.0°(0.12), 75.2°(0.08), 75.9°(0.23), 84.1°(0.17), 88.2°(0.09), 88.8... | JVASP-36723 | 4.61 4.61 7.90
90 90 90
Pb 0.500 0.000 0.765
Pb 0.000 0.500 0.235
Br 0.000 0.500 0.638
Br 0.500 0.000 0.362
Cl 0.000 0.000 0.000
Cl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: USnRu.
The XRD pattern shows main peaks at: 24.2°(0.08), 28.1°(0.14), 33.1°(1.0), 36.1°(0.83), 37.4°(0.45), 42.7°(0.21), 43.9°(0.11), 45.3°(0.22), 51.8°(0.16), 57.1°(0.25), 60.1°(0.23), 63.9°(0.13), 68.4°(0.23), 71.2°(0.14), 75.8°(0.1), 77.5°(0.1), 79.0°(0.09).
Generate atomic structure descrip... | JVASP-7918 | 7.34 7.34 4.01
90 90 120
U 0.414 0.000 0.500
U 0.586 0.586 0.500
U 0.000 0.414 0.500
Sn 0.254 0.254 0.000
Sn 0.746 0.000 0.000
Sn 0.000 0.746 0.000
Ru 0.333 0.667 0.000
Ru 0.000 0.000 0.500
Ru 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Ca2SnS4.
The XRD pattern shows main peaks at: 13.5°(1.0), 26.1°(0.13), 26.7°(0.26), 32.0°(0.75), 35.1°(0.08), 41.6°(0.25), 44.8°(0.12), 45.7°(0.5), 47.0°(0.12), 48.0°(0.09), 49.1°(0.08), 56.0°(0.12), 57.8°(0.12), 58.4°(0.08), 67.0°(0.07), 75.5°(0.1), 76.0°(0.1), 83.3°(0.07), 86.4°(0.08).
Genera... | JVASP-22728 | 3.87 6.94 6.94
108 90 90
Ca 0.500 0.000 0.500
Ca 0.500 0.500 -0.000
Sn 0.000 0.000 0.000
S 0.000 0.232 0.768
S 0.000 0.768 0.232
S 0.500 0.777 0.777
S 0.500 0.223 0.223 |
Below is a description of a material. | The chemical formula is: ZnSbF.
The XRD pattern shows main peaks at: 21.9°(0.64), 29.6°(0.61), 37.1°(0.38), 38.5°(1.0), 44.8°(0.1), 49.3°(0.92), 54.5°(0.11), 60.5°(0.09), 61.3°(0.07), 68.7°(0.12), 69.7°(0.14), 74.8°(0.26), 77.4°(0.22), 82.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-134879 | 4.68 4.68 3.02
90 90 120
Zn 0.667 0.333 0.000
Sb 0.333 0.667 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TcMo.
The XRD pattern shows main peaks at: 40.9°(1.0), 59.3°(0.12), 74.5°(0.23), 88.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194070 | 3.13 4.40 5.17
115 107 90
Mo 0.007 0.090 0.013
Mo 0.743 0.327 0.487
Tc 0.492 0.576 0.984
Tc 0.258 0.841 0.516 |
Below is a description of a material. | The chemical formula is: TlAgBr3.
The XRD pattern shows main peaks at: 23.3°(0.46), 24.0°(0.51), 28.8°(0.47), 30.0°(0.18), 33.7°(1.0), 40.9°(0.21), 41.4°(0.28), 42.7°(0.11), 47.6°(0.26), 49.2°(0.33), 59.6°(0.12), 62.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-167805 | 7.42 7.42 7.42
61 61 61
Tl 0.256 0.256 0.256
Tl 0.756 0.756 0.756
Ag 0.006 0.006 0.006
Ag 0.506 0.506 0.506
Br 0.256 0.814 0.697
Br 0.814 0.697 0.256
Br 0.697 0.256 0.814
Br 0.197 0.314 0.756
Br 0.756 0.197 0.314
Br 0.314 0.756 0.197 |
Below is a description of a material. | The chemical formula is: DyBC.
The XRD pattern shows main peaks at: 10.8°(0.34), 21.7°(1.0), 25.3°(0.56), 26.8°(0.39), 31.0°(0.53), 32.8°(0.1), 33.6°(0.55), 37.2°(0.51), 40.5°(0.71), 41.9°(0.11), 44.2°(0.1), 47.2°(0.25), 52.0°(0.12), 54.3°(0.36), 57.0°(0.13), 58.9°(0.12), 60.6°(0.11), 61.8°(0.16), 65.2°(0.17), 72.8°(0.... | JVASP-4660 | 3.39 3.52 8.37
90 101 90
Dy 0.140 0.000 0.280
Dy 0.860 0.000 0.720
B 0.719 0.500 0.439
B 0.281 0.500 0.561
C 0.371 0.500 0.742
C 0.629 0.500 0.258 |
Below is a description of a material. | The chemical formula is: VPO5.
The XRD pattern shows main peaks at: 20.6°(0.08), 25.4°(0.5), 29.4°(1.0), 39.2°(0.06), 42.0°(0.12), 47.3°(0.22), 49.7°(0.13), 52.1°(0.1), 61.0°(0.08), 65.1°(0.21), 67.1°(0.05), 69.1°(0.1), 80.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-30242 | 6.08 6.08 4.30
90 90 90
V 0.250 0.250 0.207
V 0.750 0.750 0.793
P 0.250 0.750 0.500
P 0.750 0.250 0.500
O 0.050 0.701 0.708
O 0.201 0.950 0.292
O 0.250 0.250 0.832
O 0.299 0.550 0.292
O 0.450 0.799 0.708
O 0.550 0.201 0.292
O 0.701 0.450 0.708
O 0.750 0.750 0.168
O 0.799 0.050 0.708
O 0.950 0.299 0.292 |
Below is a description of a material. | The chemical formula is: Sm3Ga.
The XRD pattern shows main peaks at: 18.6°(0.06), 26.5°(0.05), 32.6°(1.0), 37.8°(0.51), 54.5°(0.33), 65.0°(0.41), 68.3°(0.11), 80.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17687 | 4.76 4.76 4.76
90 90 90
Sm 0.500 0.500 0.000
Sm 0.500 0.000 0.500
Sm 0.000 0.500 0.500
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Zr2Ni2Sn.
The XRD pattern shows main peaks at: 31.7°(0.2), 35.7°(0.19), 36.5°(0.59), 38.7°(1.0), 40.1°(0.7), 46.0°(0.05), 48.5°(0.1), 53.1°(0.07), 53.7°(0.2), 58.0°(0.07), 60.1°(0.1), 61.7°(0.17), 66.2°(0.07), 69.1°(0.24), 73.4°(0.15), 75.7°(0.06), 77.5°(0.09), 83.0°(0.06).
Generate atomic stru... | JVASP-165193 | 6.83 7.11 7.11
90 90 90
Zr 0.000 0.183 0.183
Zr 0.500 0.317 0.683
Zr 0.500 0.683 0.317
Zr 0.000 0.817 0.817
Zr 0.000 0.344 0.656
Zr 0.500 0.844 0.844
Zr 0.500 0.156 0.156
Zr 0.000 0.656 0.344
Ni 0.283 0.375 0.375
Ni 0.783 0.125 0.875
Ni 0.783 0.875 0.125
Ni 0.283 0.625 0.625
Ni 0.217 0.875 0.125
Ni 0.217 0.125 0.875
Ni... |
Below is a description of a material. | The chemical formula is: HgBrN.
The XRD pattern shows main peaks at: 20.0°(0.3), 22.2°(0.15), 23.7°(0.36), 30.0°(1.0), 31.2°(0.94), 32.7°(0.77), 38.6°(0.32), 40.6°(0.25), 45.3°(0.2), 47.5°(0.11), 53.0°(0.5), 54.0°(0.15), 56.0°(0.33), 58.2°(0.2), 62.4°(0.15), 67.9°(0.11), 69.7°(0.13), 72.2°(0.11), 84.0°(0.12), 85.5°(0.1... | JVASP-78827 | 4.00 4.45 3.75
90 90 90
Hg 0.000 0.000 0.003
Br 0.500 0.500 0.635
N 0.500 0.000 0.822 |
Below is a description of a material. | The chemical formula is: LaSnPd.
The XRD pattern shows main peaks at: 31.3°(0.47), 31.9°(1.0), 32.2°(0.36), 35.4°(0.09), 36.9°(0.3), 37.5°(0.41), 38.4°(0.62), 45.4°(0.07), 46.2°(0.07), 50.3°(0.22), 51.2°(0.05), 52.6°(0.08), 53.7°(0.22), 58.5°(0.08), 61.8°(0.27), 64.2°(0.12), 68.4°(0.26), 71.6°(0.08), 86.6°(0.1), 88.0°(... | JVASP-151118 | 4.79 7.66 8.06
90 90 90
La 0.250 0.015 0.299
La 0.750 0.485 0.799
La 0.750 0.985 0.701
La 0.250 0.515 0.201
Sn 0.250 0.186 0.913
Sn 0.750 0.314 0.413
Sn 0.750 0.814 0.087
Sn 0.250 0.686 0.587
Pd 0.250 0.298 0.584
Pd 0.750 0.202 0.084
Pd 0.750 0.702 0.416
Pd 0.250 0.798 0.916 |
Below is a description of a material. | The chemical formula is: LiHg2Au.
The XRD pattern shows main peaks at: 26.8°(0.91), 28.9°(0.05), 31.0°(0.95), 33.9°(0.14), 34.2°(0.15), 37.2°(1.0), 45.1°(0.67), 53.1°(0.45), 62.8°(0.35), 64.4°(0.09), 65.4°(0.16), 72.0°(0.16), 74.0°(0.06), 77.7°(0.08), 88.1°(0.08).
Generate atomic structure description with lattice leng... | JVASP-81866 | 14.72 6.72 8.79
25 15 21
Li -0.000 -0.000 0.000
Hg 0.681 -0.139 0.139
Hg 0.319 0.139 -0.139
Au 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Pr2Ta2Cl2O7.
The XRD pattern shows main peaks at: 12.5°(0.13), 13.9°(0.44), 23.3°(0.7), 25.1°(0.14), 25.9°(0.15), 27.9°(0.24), 28.5°(0.38), 29.4°(1.0), 33.4°(0.29), 34.6°(0.57), 35.1°(0.21), 42.4°(0.23), 45.3°(0.12), 45.9°(0.28), 47.2°(0.23), 48.2°(0.22), 55.3°(0.2), 57.9°(0.24), 59.0°(0.16), 6... | JVASP-85951 | 3.96 6.98 8.00
112 104 90
Pr 0.309 0.834 0.617
Pr 0.691 0.166 0.383
Ta 0.966 0.203 0.931
Ta 0.034 0.797 0.069
Cl 0.677 0.566 0.354
Cl 0.323 0.434 0.646
O 0.456 0.166 0.913
O 0.544 0.834 0.087
O 0.919 0.848 0.837
O 0.000 0.500 0.000
O 0.826 0.072 0.652
O 0.081 0.152 0.163
O 0.174 0.928 0.348 |
Below is a description of a material. | The chemical formula is: NdCuSO.
The XRD pattern shows main peaks at: 24.9°(0.41), 31.1°(1.0), 31.9°(0.2), 33.9°(0.43), 38.7°(0.35), 39.4°(0.06), 46.1°(0.38), 49.1°(0.09), 53.1°(0.12), 54.6°(0.34), 56.6°(0.36), 57.1°(0.16), 59.7°(0.08), 67.2°(0.12), 69.6°(0.07), 75.9°(0.07), 76.3°(0.08), 77.4°(0.08), 78.6°(0.06), 80.3°... | JVASP-150274 | 3.94 3.94 8.42
90 90 90
Nd 0.250 0.250 0.146
Nd 0.750 0.750 0.854
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500
S 0.250 0.250 0.668
S 0.750 0.750 0.332
O 0.250 0.750 0.000
O 0.750 0.250 0.000 |
Below is a description of a material. | The chemical formula is: Mn3O2F4.
The XRD pattern shows main peaks at: 27.0°(1.0), 34.0°(0.53), 39.2°(0.25), 52.2°(0.35), 55.6°(0.18), 66.5°(0.08), 67.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-48475 | 4.65 4.70 9.59
90 90 90
Mn 0.995 0.711 0.825
Mn 0.995 0.711 0.175
Mn 0.031 0.750 0.500
Mn 0.495 0.289 0.675
Mn 0.531 0.250 0.000
Mn 0.495 0.289 0.325
O 0.691 0.439 0.167
O 0.691 0.439 0.833
O 0.191 0.561 0.333
O 0.191 0.561 0.667
F 0.796 0.979 0.343
F 0.189 0.516 0.000
F 0.689 0.484 0.500
F 0.296 0.021 0.843
F 0.296 0.... |
Below is a description of a material. | The chemical formula is: TlCdO.
The XRD pattern shows main peaks at: 14.7°(0.45), 27.0°(0.97), 28.6°(0.76), 29.6°(1.0), 30.9°(0.16), 38.4°(0.14), 39.8°(0.72), 40.5°(0.98), 45.1°(0.12), 47.6°(0.15), 48.8°(0.12), 51.2°(0.18), 53.4°(0.15), 55.8°(0.14), 58.8°(0.25), 60.6°(0.12), 63.9°(0.15), 64.4°(0.26), 66.3°(0.11), 85.8°... | JVASP-120961 | 3.57 6.90 3.30
90 90 119
Tl 0.601 0.603 0.000
Cd 0.516 0.024 0.000
O -0.117 0.374 0.000 |
Below is a description of a material. | The chemical formula is: LaTa2CuBrO7.
The XRD pattern shows main peaks at: 7.5°(0.47), 22.7°(0.43), 27.3°(0.66), 30.4°(0.05), 32.3°(1.0), 38.2°(0.08), 39.8°(0.08), 44.9°(0.19), 46.4°(0.27), 50.9°(0.09), 52.2°(0.14), 54.7°(0.2), 57.6°(0.18), 61.6°(0.05), 67.6°(0.08), 77.0°(0.13).
Generate atomic structure description wi... | JVASP-111741 | 3.92 3.92 11.77
90 90 90
La 0.500 0.500 0.000
Ta 0.000 0.000 0.191
Ta 0.000 0.000 0.809
Cu 0.000 0.000 0.500
Br 0.500 0.500 0.500
O 0.000 0.500 0.154
O 0.000 0.500 0.846
O 0.500 0.000 0.154
O 0.500 0.000 0.846
O 0.000 0.000 0.344
O 0.000 0.000 0.656
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgCrO2.
The XRD pattern shows main peaks at: 10.3°(1.0), 29.7°(0.33), 34.4°(0.09), 36.5°(0.09), 39.0°(0.19), 40.0°(0.12), 40.4°(0.57), 42.4°(0.05), 48.3°(0.09), 51.7°(0.08), 53.3°(0.06), 58.4°(0.06), 59.4°(0.06), 61.3°(0.14), 63.5°(0.09), 67.8°(0.06).
Generate atomic structure description with ... | JVASP-9270 | 2.93 8.90 7.07
78 89 99
Mg 0.434 0.901 0.283
Mg 0.541 0.117 0.752
Mg 0.588 0.211 0.206
Mg 0.387 0.808 0.818
Cr -0.212 0.610 0.566
Cr 0.779 0.592 0.162
Cr 0.201 0.436 0.860
Cr 0.183 0.401 0.458
O 0.611 0.256 0.491
O 0.784 0.603 0.860
O 0.195 0.423 0.177
O 0.362 0.758 0.539
O -0.033 0.968 0.788
O 0.352 0.739 0.121
O 0.00... |
Below is a description of a material. | The chemical formula is: Li2MnF6.
The XRD pattern shows main peaks at: 18.0°(1.0), 25.8°(0.56), 36.7°(0.1), 41.1°(0.26), 49.5°(0.1), 52.7°(0.16), 53.1°(0.18), 65.7°(0.08), 69.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103548 | 5.69 5.69 4.83
90 90 120
Li 0.333 0.667 0.247
Li 0.667 0.333 0.753
Mn 0.000 0.000 0.000
F 0.152 0.848 0.217
F 0.152 0.303 0.217
F 0.303 0.152 0.783
F 0.697 0.848 0.217
F 0.848 0.697 0.783
F 0.848 0.152 0.783 |
Below is a description of a material. | The chemical formula is: BaLiCr.
The XRD pattern shows main peaks at: 19.5°(1.0), 22.5°(0.15), 32.0°(0.86), 37.7°(0.55), 45.9°(0.15), 50.3°(0.26), 51.7°(0.07), 57.1°(0.32), 60.9°(0.2), 67.0°(0.1), 70.5°(0.19), 76.2°(0.13), 79.5°(0.07), 88.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-66031 | 5.59 5.59 5.59
60 60 60
Ba 0.750 0.750 0.750
Li 0.500 0.500 0.500
Cr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiSm2Ru.
The XRD pattern shows main peaks at: 21.9°(0.14), 25.3°(0.27), 36.1°(1.0), 42.6°(0.07), 44.6°(0.08), 52.0°(0.17), 58.7°(0.1), 64.9°(0.36), 76.6°(0.11), 82.2°(0.05), 87.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39680 | 4.98 4.98 4.98
60 60 60
Li 0.250 0.250 0.250
Sm 0.000 0.000 0.000
Sm 0.500 0.500 0.500
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ba4GeMo.
The XRD pattern shows main peaks at: 15.7°(0.22), 25.7°(0.17), 30.3°(1.0), 31.6°(0.58), 36.7°(0.14), 40.1°(0.07), 45.3°(0.07), 48.3°(0.37), 52.9°(0.34), 55.5°(0.05), 62.1°(0.14), 62.9°(0.25), 74.4°(0.23), 78.0°(0.06), 85.9°(0.08), 86.6°(0.05).
Generate atomic structure description with... | JVASP-66630 | 6.93 6.93 6.93
60 60 60
Ba 0.127 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.127 0.624
Ba 0.624 0.624 0.127
Ge 0.250 0.250 0.250
Mo 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrMn7O12.
The XRD pattern shows main peaks at: 34.3°(1.0), 38.5°(0.09), 49.4°(0.27), 61.5°(0.5), 72.4°(0.12), 82.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168286 | 6.40 6.39 6.39
109 109 109
Sr 0.000 0.000 -0.000
Mn 0.500 0.000 0.500
Mn 0.000 0.500 0.500
Mn 0.500 0.500 -0.000
Mn 0.000 0.000 0.500
Mn 0.500 0.500 0.500
Mn 0.000 0.500 -0.000
Mn 0.500 0.000 -0.000
O 0.131 0.821 0.311
O 0.820 0.689 0.510
O 0.310 0.490 0.179
O 0.869 0.179 0.689
O 0.180 0.311 0.490
O 0.690 0.510 0.821
O... |
Below is a description of a material. | The chemical formula is: Ba2NdReO6.
The XRD pattern shows main peaks at: 29.4°(1.0), 42.1°(0.25), 52.1°(0.38), 61.0°(0.18), 69.1°(0.18), 76.8°(0.05), 84.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170246 | 6.08 6.08 6.08
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Nd 0.500 0.500 0.500
Re -0.000 0.000 -0.000
O 0.770 0.770 0.230
O 0.230 0.230 0.770
O 0.770 0.230 0.770
O 0.230 0.770 0.230
O 0.230 0.770 0.770
O 0.770 0.230 0.230 |
Below is a description of a material. | The chemical formula is: CaZrS.
The XRD pattern shows main peaks at: 10.8°(0.36), 21.7°(0.19), 26.2°(1.0), 28.4°(0.16), 32.8°(0.18), 34.3°(0.22), 37.3°(0.35), 39.0°(0.07), 42.5°(0.31), 43.6°(0.13), 50.6°(0.18), 52.1°(0.1), 53.8°(0.12), 59.3°(0.07), 60.8°(0.17), 63.0°(0.07), 64.5°(0.09), 65.4°(0.07), 70.9°(0.13), 78.2°(... | JVASP-113572 | 3.41 3.41 8.19
90 90 90
Ca 0.000 0.000 -0.066
Zr 0.000 0.000 0.526
S 0.000 0.000 0.248 |
Below is a description of a material. | The chemical formula is: NdSbPd.
The XRD pattern shows main peaks at: 31.7°(1.0), 39.1°(0.6), 45.4°(0.15), 51.1°(0.24), 61.4°(0.32), 66.2°(0.24), 70.8°(0.1), 84.0°(0.06), 88.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35010 | 4.61 4.61 8.00
90 90 119
Nd 0.000 0.000 0.500
Nd 0.000 0.000 0.000
Sb 0.667 0.333 0.750
Sb 0.333 0.667 0.250
Pd 0.667 0.333 0.250
Pd 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: BaVN2.
The XRD pattern shows main peaks at: 22.9°(0.11), 27.4°(0.09), 28.6°(0.61), 29.6°(1.0), 30.1°(0.09), 30.8°(0.42), 32.3°(0.18), 36.3°(0.06), 37.9°(0.22), 38.7°(0.19), 42.7°(0.13), 45.2°(0.12), 46.5°(0.13), 49.6°(0.12), 50.1°(0.13), 53.4°(0.11), 54.0°(0.19), 56.8°(0.16), 64.0°(0.13), 70.5°... | JVASP-144208 | 6.61 11.87 7.78
90 90 26
Ba -0.000 0.168 0.570
Ba 0.000 0.832 0.430
Ba 0.000 0.332 0.070
Ba -0.000 0.668 0.930
V 0.000 0.444 0.642
V -0.000 0.556 0.358
V -0.000 0.056 0.142
V 0.000 0.944 0.858
N -0.000 0.103 0.912
N 0.000 0.897 0.088
N 0.000 0.397 0.412
N -0.000 0.603 0.588
N 0.500 0.632 0.750
N 0.500 0.868 0.250
N 0.5... |
Below is a description of a material. | The chemical formula is: HeTb8.
The XRD pattern shows main peaks at: 3.2°(1.0), 6.4°(0.21), 9.6°(0.06), 29.4°(0.11), 29.9°(0.1), 32.0°(0.23), 33.5°(0.35), 51.8°(0.13), 63.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130060 | 3.53 3.53 27.54
90 90 120
He 0.000 0.000 0.000
Tb 0.000 0.000 0.241
Tb 0.667 0.333 0.141
Tb 0.667 0.333 0.345
Tb 0.667 0.333 0.552
Tb 0.333 0.667 0.448
Tb 0.333 0.667 0.655
Tb 0.333 0.667 0.859
Tb 0.000 0.000 0.759 |
Below is a description of a material. | The chemical formula is: NdFeSi.
The XRD pattern shows main peaks at: 25.4°(1.0), 31.1°(0.31), 33.7°(0.45), 34.1°(0.68), 39.2°(0.2), 40.8°(0.71), 44.5°(0.52), 51.9°(0.29), 57.2°(0.33), 58.1°(0.25), 60.7°(0.19), 64.7°(0.16), 70.7°(0.06), 73.5°(0.06), 75.1°(0.1), 76.0°(0.23), 76.6°(0.1), 78.3°(0.09), 79.4°(0.19), 87.5°(0... | JVASP-17796 | 4.07 4.07 6.90
90 90 90
Nd 0.000 0.500 0.683
Nd 0.500 0.000 0.317
Fe 0.500 0.500 0.000
Fe 0.000 0.000 0.000
Si 0.500 0.000 0.835
Si 0.000 0.500 0.165 |
Below is a description of a material. | The chemical formula is: ThMn3Al2.
The XRD pattern shows main peaks at: 19.1°(0.2), 19.9°(0.35), 21.5°(0.44), 28.9°(0.79), 29.5°(0.26), 32.8°(0.36), 34.3°(0.4), 38.7°(0.32), 39.6°(0.39), 40.9°(1.0), 43.8°(0.27), 55.8°(0.15), 56.2°(0.13), 56.8°(0.19), 58.9°(0.15), 59.8°(0.18), 64.1°(0.25), 72.4°(0.1), 78.5°(0.14), 88.6°... | JVASP-173803 | 4.13 5.46 5.23
121 90 90
Th -0.000 1.000 0.000
Mn -0.000 0.347 0.693
Mn 0.000 0.653 0.307
Mn 0.500 0.500 -0.000
Al 0.500 0.500 0.500
Al 0.500 1.000 0.500 |
Below is a description of a material. | The chemical formula is: YFe2Bi2Se2O4.
The XRD pattern shows main peaks at: 21.1°(0.1), 23.3°(0.13), 29.1°(1.0), 32.8°(0.2), 35.8°(0.19), 39.7°(0.1), 47.1°(0.22), 49.1°(0.24), 56.3°(0.32), 68.8°(0.07), 76.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28395 | 3.86 3.86 12.92
98 98 90
Y 1.000 1.000 1.000
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
Bi 0.400 0.400 0.799
Bi 0.600 0.600 0.201
Se 0.813 0.813 0.626
Se 0.187 0.187 0.374
O 0.555 0.055 0.110
O 0.945 0.445 0.890
O 0.055 0.555 0.110
O 0.445 0.945 0.890 |
Below is a description of a material. | The chemical formula is: BaBiF.
The XRD pattern shows main peaks at: 10.4°(0.19), 20.9°(0.5), 25.2°(1.0), 27.3°(0.09), 31.5°(0.11), 33.0°(0.6), 36.0°(0.36), 40.8°(0.24), 41.9°(0.32), 48.6°(0.13), 50.0°(0.13), 51.8°(0.13), 56.4°(0.15), 56.8°(0.09), 58.4°(0.19), 60.4°(0.11), 62.7°(0.2), 67.9°(0.1), 74.9°(0.09), 83.5°(0.1... | JVASP-114533 | 3.53 3.53 8.51
90 90 90
Ba 0.000 0.000 0.283
Bi 0.000 0.000 0.715
F 0.000 0.000 0.010 |
Below is a description of a material. | The chemical formula is: TbAs3.
The XRD pattern shows main peaks at: 20.2°(0.13), 28.8°(0.12), 35.5°(1.0), 41.2°(0.52), 46.3°(0.07), 51.0°(0.05), 59.6°(0.35), 71.3°(0.42), 75.0°(0.12), 89.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106981 | 4.39 4.39 4.39
90 90 90
Tb 0.000 0.000 0.000
As 0.000 0.500 0.500
As 0.500 0.000 0.500
As 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BeP4Pb.
The XRD pattern shows main peaks at: 19.1°(0.54), 22.1°(0.93), 31.5°(0.75), 37.1°(1.0), 38.9°(0.29), 49.5°(0.37), 50.9°(0.23), 56.1°(0.27), 59.9°(0.47), 65.8°(0.16), 69.2°(0.19), 70.4°(0.17), 74.8°(0.09), 78.1°(0.11), 79.1°(0.09), 86.6°(0.13), 87.7°(0.13).
Generate atomic structure desc... | JVASP-64900 | 5.68 5.68 5.68
60 60 60
Be 0.000 0.000 0.000
P 0.350 0.350 0.350
P 0.350 0.949 0.350
P 0.350 0.350 0.949
P 0.949 0.350 0.350
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiY2Tl.
The XRD pattern shows main peaks at: 17.6°(0.99), 26.9°(0.37), 28.2°(0.62), 30.7°(1.0), 32.6°(0.42), 33.6°(0.16), 39.2°(0.16), 42.2°(0.78), 42.8°(0.2), 43.6°(0.34), 44.4°(0.1), 53.3°(0.1), 57.0°(0.17), 61.4°(0.14), 63.9°(0.12), 64.8°(0.23), 71.3°(0.17).
Generate atomic structure descrip... | JVASP-79734 | 12.66 7.11 7.11
45 27 27
Li 0.000 0.000 0.000
Y 0.746 -0.000 0.000
Y 0.254 0.000 -0.000
Tl 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaTm3.
The XRD pattern shows main peaks at: 19.8°(0.17), 22.9°(0.09), 32.6°(1.0), 38.4°(0.09), 46.8°(0.18), 58.2°(0.38), 68.3°(0.12), 77.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38650 | 5.49 5.49 5.49
60 60 60
Na 0.750 0.750 0.750
Tm 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Tm 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CaInPd.
The XRD pattern shows main peaks at: 16.0°(0.54), 20.8°(0.14), 22.7°(0.6), 24.4°(0.37), 31.7°(0.72), 33.6°(1.0), 37.7°(0.86), 38.5°(0.48), 39.7°(0.57), 40.3°(0.16), 41.0°(0.64), 42.9°(0.35), 43.9°(0.29), 44.3°(0.19), 45.4°(0.26), 47.8°(0.16), 57.5°(0.24), 60.8°(0.25), 61.6°(0.22), 68.8°... | JVASP-54565 | 4.41 7.28 8.53
90 90 90
Ca 0.750 0.533 0.820
Ca 0.250 0.967 0.320
Ca 0.750 0.033 0.680
Ca 0.250 0.467 0.180
In 0.250 0.351 0.564
In 0.250 0.851 0.936
In 0.750 0.149 0.064
In 0.750 0.649 0.436
Pd 0.250 0.236 0.875
Pd 0.750 0.764 0.125
Pd 0.750 0.264 0.375
Pd 0.250 0.736 0.625 |
Below is a description of a material. | The chemical formula is: Ba4Re2NiO12.
The XRD pattern shows main peaks at: 18.8°(0.22), 21.7°(0.14), 23.7°(0.18), 28.4°(0.28), 30.9°(1.0), 36.5°(0.19), 39.3°(0.14), 42.4°(0.17), 44.3°(0.13), 48.6°(0.19), 54.9°(0.15), 64.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom t... | JVASP-170765 | 5.79 5.79 9.99
90 73 120
Ba 0.570 0.285 0.145
Ba 0.425 0.712 0.863
Ba 0.249 0.125 0.626
Ba 0.748 0.874 0.379
Re 0.998 0.999 0.003
Re 0.012 0.506 0.482
Ni 0.819 0.409 0.772
O 0.769 0.610 0.621
O 0.221 0.610 0.621
O 0.769 0.158 0.621
O 0.237 0.379 0.384
O 0.758 0.379 0.384
O 0.237 0.858 0.384
O 0.080 0.809 0.111
O 0.618 ... |
Below is a description of a material. | The chemical formula is: V2FeCu3O6.
The XRD pattern shows main peaks at: 30.3°(0.51), 36.2°(0.11), 37.3°(1.0), 38.1°(0.48), 41.3°(0.39), 42.4°(0.17), 55.5°(0.34), 63.0°(0.08), 63.7°(0.12), 64.2°(0.23), 65.6°(0.21), 72.2°(0.07), 73.6°(0.07), 76.7°(0.1), 79.6°(0.05), 89.7°(0.07).
Generate atomic structure description wit... | JVASP-140827 | 6.15 6.15 8.75
57 57 27
V 0.339 0.339 0.822
V 0.661 0.661 0.178
Fe -0.000 0.000 0.500
Cu 0.000 0.000 0.000
Cu 0.330 0.330 0.343
Cu 0.670 0.670 0.657
O 0.193 0.193 0.302
O 0.530 0.530 0.622
O 0.859 0.859 0.964
O 0.807 0.807 0.698
O 0.141 0.141 0.036
O 0.470 0.470 0.378 |
Below is a description of a material. | The chemical formula is: HoCu2S2.
The XRD pattern shows main peaks at: 14.1°(0.22), 29.6°(1.0), 38.8°(0.59), 43.1°(0.17), 45.8°(0.59), 55.5°(0.14), 61.4°(0.13), 64.9°(0.14), 80.0°(0.07), 81.4°(0.07), 84.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85160 | 3.96 3.96 6.30
89 90 119
Ho 0.000 0.000 0.000
Cu 0.664 0.336 0.673
Cu 0.336 0.664 0.327
S 0.668 0.332 0.265
S 0.332 0.668 0.735 |
Below is a description of a material. | The chemical formula is: Ba4YMn.
The XRD pattern shows main peaks at: 15.5°(0.29), 25.4°(0.13), 29.9°(1.0), 31.2°(0.58), 36.2°(0.16), 39.6°(0.09), 47.6°(0.34), 52.2°(0.33), 54.8°(0.06), 61.3°(0.13), 62.1°(0.25), 73.3°(0.22), 76.9°(0.06), 84.6°(0.07), 85.3°(0.05).
Generate atomic structure description with lattice lengt... | JVASP-64618 | 7.01 7.01 7.01
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Y 0.000 0.000 0.000
Mn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SrAl2Pt.
The XRD pattern shows main peaks at: 15.5°(0.6), 22.4°(0.23), 24.1°(0.57), 25.5°(0.75), 28.8°(0.1), 31.3°(0.13), 33.2°(0.33), 33.9°(1.0), 39.9°(0.2), 42.7°(0.27), 43.3°(0.39), 49.1°(0.37), 49.6°(0.19), 51.8°(0.16), 55.4°(0.23), 59.8°(0.12), 60.8°(0.1), 66.4°(0.13), 67.4°(0.09), 72.2°(0... | JVASP-156159 | 4.23 7.37 6.10
90 110 90
Sr 0.450 0.500 0.399
Sr 0.550 0.000 0.601
Al 0.825 0.191 0.150
Al 0.825 0.809 0.150
Al 0.175 0.309 0.850
Al 0.175 0.691 0.850
Pt 0.279 0.000 0.058
Pt 0.721 0.500 0.942 |
Below is a description of a material. | The chemical formula is: Sr2SmTaCu2O8.
The XRD pattern shows main peaks at: 15.2°(0.14), 23.9°(0.26), 27.3°(0.07), 32.4°(1.0), 38.5°(0.07), 45.1°(0.11), 46.1°(0.31), 52.6°(0.07), 57.5°(0.38), 61.7°(0.06), 67.3°(0.1), 76.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom t... | JVASP-59627 | 3.93 3.93 11.65
90 90 90
Sr 0.500 0.500 0.800
Sr 0.500 0.500 0.200
Sm 0.500 0.500 0.500
Ta 0.000 0.000 0.000
Cu 0.000 0.000 0.640
Cu 0.000 0.000 0.360
O 0.500 0.000 0.629
O 0.000 0.500 0.629
O 0.500 0.000 0.371
O 0.000 0.500 0.371
O 0.000 0.500 0.000
O 0.500 0.000 0.000
O 0.000 0.000 0.170
O 0.000 0.000 0.830 |
Below is a description of a material. | The chemical formula is: Zr2Al.
The XRD pattern shows main peaks at: 20.9°(0.09), 25.8°(0.35), 36.5°(0.94), 37.0°(1.0), 45.2°(0.07), 53.0°(0.33), 59.5°(0.07), 62.8°(0.07), 66.1°(0.33), 74.9°(0.23), 77.6°(0.09), 89.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14957 | 4.92 4.92 5.92
90 90 120
Zr 0.000 0.000 0.000
Zr 0.000 0.000 0.500
Zr 0.333 0.667 0.250
Zr 0.667 0.333 0.750
Al 0.333 0.667 0.750
Al 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: CeAl2Ga2.
The XRD pattern shows main peaks at: 15.8°(0.34), 30.3°(0.61), 32.1°(1.0), 34.3°(0.89), 43.3°(0.55), 45.8°(0.56), 54.9°(0.43), 62.9°(0.18), 64.9°(0.44), 66.6°(0.06), 82.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15187 | 4.18 4.18 6.35
109 109 90
Ce 0.000 0.000 0.000
Al 0.250 0.750 0.500
Al 0.750 0.250 0.500
Ga 0.611 0.611 0.222
Ga 0.389 0.389 0.778 |
Below is a description of a material. | The chemical formula is: Al2PdRu.
The XRD pattern shows main peaks at: 29.5°(0.47), 42.2°(1.0), 52.3°(0.13), 61.2°(0.16), 69.4°(0.14), 77.1°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41990 | 4.28 4.28 4.28
60 60 60
Al 0.500 0.500 0.500
Al 0.000 0.000 0.000
Pd 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li4Nb2Fe3O10.
The XRD pattern shows main peaks at: 12.4°(0.25), 18.0°(1.0), 19.0°(0.09), 23.1°(0.36), 24.9°(0.1), 27.1°(0.29), 29.2°(0.17), 34.3°(0.11), 34.6°(0.12), 35.4°(0.12), 37.1°(0.19), 41.4°(0.39), 42.7°(0.42), 44.8°(0.35), 45.9°(0.08), 56.7°(0.12), 60.8°(0.12), 62.0°(0.08), 63.0°(0.1), ... | JVASP-169336 | 5.15 5.13 7.93
80 68 98
Li 0.169 0.509 0.597
Li 0.368 0.449 0.225
Li 0.632 0.551 0.775
Li 0.831 0.491 0.403
Nb 0.594 0.972 0.294
Nb 0.406 0.028 0.706
Fe -0.000 0.500 0.000
Fe 0.229 0.977 0.131
Fe 0.771 0.023 0.869
O 0.222 0.724 0.348
O -0.008 0.751 0.785
O 0.422 0.228 0.453
O 0.631 0.256 0.058
O 0.186 0.270 0.844
O 0.8... |
Below is a description of a material. | The chemical formula is: TiSCl2.
The XRD pattern shows main peaks at: 12.6°(0.84), 29.9°(0.25), 37.4°(1.0), 38.6°(0.94), 40.8°(0.15), 47.6°(0.47), 55.7°(0.37), 57.4°(0.05), 69.1°(0.25), 69.7°(0.09), 73.2°(0.07), 76.3°(0.2), 79.6°(0.08), 82.8°(0.08).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-179275 | 3.30 3.30 7.03
90 90 90
Ti 0.500 0.500 0.693
S 0.000 -0.000 0.830
Cl -0.000 -0.000 0.435
Cl 0.500 0.500 0.051 |
Below is a description of a material. | The chemical formula is: Ca3AsN.
The XRD pattern shows main peaks at: 16.5°(1.0), 23.4°(0.19), 28.8°(0.13), 33.3°(0.67), 37.4°(0.5), 41.1°(0.07), 47.9°(0.48), 51.0°(0.25), 59.6°(0.16), 62.3°(0.11), 70.0°(0.07), 72.5°(0.14), 79.8°(0.19), 82.2°(0.1), 89.3°(0.15).
Generate atomic structure description with lattice lengths... | JVASP-36460 | 5.37 5.37 5.37
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
As 0.500 0.500 0.500
N 0.000 0.000 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°(0.07), 26.1°(0.11), 30.1°(0.14), 30.9°(1.0), 33.8°(0.62), 39.6°(0.09), 40.3°(0.06), 42.5°(0.07), 43.2°(0.18), 43.7°(0.07), 45.3°(0.06), 48.5°(0.09), 49.0°(0.09), 53.0°(0.08), 55.9°(0.08), 60.0°(0.11), 62.6°(0.11), 63.0°(0.21), 88.7... | JVASP-154305 | 9.05 9.05 9.05
124 124 82
In 0.000 0.000 0.000
In 0.500 0.500 0.000
In 0.815 0.315 0.799
In 0.517 0.017 0.201
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 0.799
In 0.185 0.685 0.201
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: Ho6Co2Sn.
The XRD pattern shows main peaks at: 26.4°(0.12), 28.7°(0.16), 29.5°(0.17), 30.5°(0.28), 32.5°(1.0), 34.9°(0.64), 35.5°(0.31), 35.9°(0.2), 36.5°(0.16), 37.7°(0.12), 39.0°(0.19), 40.1°(0.14), 41.2°(0.14), 54.8°(0.09), 56.7°(0.14), 58.0°(0.06), 59.8°(0.07), 61.0°(0.22).
Generate atomic ... | JVASP-143167 | 8.27 8.27 8.27
112 109 106
Ho 0.445 0.237 0.208
Ho 0.676 0.988 0.313
Ho 0.324 0.012 0.687
Ho 0.676 0.363 0.687
Ho 0.816 0.285 0.100
Ho 0.184 0.715 0.900
Ho 0.324 0.637 0.313
Ho 0.184 0.285 0.469
Ho 0.971 0.763 0.208
Ho 0.029 0.237 0.792
Ho 0.555 0.763 0.792
Ho 0.816 0.715 0.531
Co 0.343 -0.000 0.343
Co 0.657 0.000 0.65... |
Below is a description of a material. | The chemical formula is: VCrC2.
The XRD pattern shows main peaks at: 37.7°(0.77), 43.9°(1.0), 63.7°(0.31), 64.1°(0.3), 76.6°(0.18), 77.1°(0.09), 80.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108055 | 5.02 5.02 5.02
33 33 33
V 0.000 0.000 0.000
Cr 0.500 0.500 0.500
C 0.249 0.249 0.249
C 0.751 0.751 0.751 |
Below is a description of a material. | The chemical formula is: TbSnPd2.
The XRD pattern shows main peaks at: 37.4°(1.0), 53.9°(0.17), 67.5°(0.34), 79.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15565 | 4.81 4.81 4.81
60 60 60
Tb 0.500 0.500 0.500
Sn 0.000 0.000 0.000
Pd 0.250 0.250 0.250
Pd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: SCl2O.
The XRD pattern shows main peaks at: 20.7°(0.55), 21.2°(0.55), 23.1°(0.79), 24.2°(0.51), 24.7°(0.2), 27.0°(0.2), 28.0°(0.35), 29.2°(0.33), 31.0°(0.35), 32.1°(1.0), 33.1°(0.73), 35.0°(0.83), 42.3°(0.36), 43.1°(0.21), 44.6°(0.16), 52.9°(0.14), 54.2°(0.15), 56.5°(0.26), 59.0°(0.19), 60.3°(0... | JVASP-5524 | 7.46 5.77 8.73
90 99 90
S 0.238 0.060 0.838
S 0.262 0.560 0.162
S 0.762 0.940 0.162
S 0.738 0.440 0.838
Cl 0.263 0.214 0.623
Cl 0.237 0.714 0.377
Cl 0.737 0.786 0.377
Cl 0.763 0.286 0.623
Cl 0.084 0.766 0.745
Cl 0.416 0.266 0.255
Cl 0.916 0.234 0.255
Cl 0.584 0.734 0.745
O 0.119 0.205 0.912
O 0.381 0.705 0.088
O 0.881 ... |
Below is a description of a material. | The chemical formula is: K3LuF6.
The XRD pattern shows main peaks at: 16.9°(1.0), 17.3°(0.34), 17.6°(0.47), 19.7°(0.76), 27.4°(0.38), 28.1°(0.81), 28.5°(0.84), 32.5°(0.2), 33.3°(0.38), 33.8°(0.15), 40.1°(0.46), 40.7°(0.25), 44.1°(0.14), 44.9°(0.25), 45.9°(0.12), 48.8°(0.2), 49.8°(0.21), 50.2°(0.3), 51.0°(0.27), 58.0°(0... | JVASP-168670 | 6.22 6.52 8.86
90 88 90
K -0.000 -0.000 0.500
K 0.500 0.500 0.000
K 0.019 0.443 0.254
K 0.981 0.557 0.746
K 0.481 0.943 0.246
K 0.519 0.057 0.754
Lu -0.000 -0.000 0.000
Lu 0.500 0.500 0.500
F 0.167 0.733 0.071
F 0.833 0.267 0.929
F 0.333 0.233 0.429
F 0.667 0.767 0.571
F 0.884 0.056 0.223
F 0.116 0.944 0.777
F 0.616 0.... |
Below is a description of a material. | The chemical formula is: NaCrS2.
The XRD pattern shows main peaks at: 13.8°(0.45), 34.4°(1.0), 44.0°(0.13), 47.8°(0.28), 51.0°(0.31), 60.7°(0.06), 63.0°(0.14), 72.5°(0.07), 85.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8094 | 6.75 6.75 6.75
30 30 30
Na 0.500 0.500 0.500
Cr 0.000 0.000 0.000
S 0.734 0.734 0.734
S 0.266 0.266 0.266 |
Below is a description of a material. | The chemical formula is: Ca2CoO3.
The XRD pattern shows main peaks at: 13.3°(0.22), 33.6°(1.0), 37.6°(0.65), 38.8°(0.59), 40.6°(0.47), 55.1°(0.37), 56.6°(0.3), 57.4°(0.33), 65.3°(0.18), 66.9°(0.14), 69.5°(0.12), 70.7°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107643 | 3.33 3.33 7.08
75 75 88
Ca 0.413 0.413 0.177
Ca 0.094 0.094 0.815
Co 0.764 0.764 0.496
O 0.594 0.594 0.806
O 0.164 0.164 0.496
O 0.904 0.904 0.186 |
Below is a description of a material. | The chemical formula is: Li2ScPt.
The XRD pattern shows main peaks at: 24.2°(1.0), 28.0°(0.31), 40.0°(0.67), 47.3°(0.51), 49.5°(0.08), 57.9°(0.11), 63.6°(0.19), 65.5°(0.12), 72.7°(0.23), 77.9°(0.16), 86.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180736 | 4.51 4.51 4.51
60 60 60
Li 0.250 0.250 0.250
Li 0.500 0.500 0.500
Sc 0.000 0.000 0.000
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ScGeO3.
The XRD pattern shows main peaks at: 31.1°(1.0), 38.3°(0.22), 44.5°(0.42), 55.3°(0.38), 64.8°(0.26), 73.6°(0.15), 77.9°(0.06), 82.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180038 | 4.07 4.07 4.07
90 90 90
Sc 0.500 0.500 0.500
Ge 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: NaLiICl.
The XRD pattern shows main peaks at: 14.5°(0.26), 21.9°(0.48), 26.4°(1.0), 29.3°(0.4), 31.2°(0.66), 34.6°(0.14), 36.9°(0.28), 43.3°(0.49), 44.7°(0.22), 50.3°(0.2), 52.7°(0.28), 54.4°(0.25), 59.3°(0.14), 69.5°(0.12), 69.9°(0.12), 73.0°(0.1), 74.0°(0.1), 78.5°(0.08), 81.5°(0.16), 82.7°(0... | JVASP-36001 | 4.05 4.05 6.10
90 90 90
Na 0.500 0.500 0.500
Li 0.000 0.000 0.000
I 0.500 0.500 0.000
Cl 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: LaMgHg2.
The XRD pattern shows main peaks at: 20.8°(0.08), 24.0°(0.21), 34.2°(1.0), 42.2°(0.06), 49.2°(0.18), 55.4°(0.09), 61.3°(0.37), 72.1°(0.12), 82.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40550 | 5.24 5.24 5.24
60 60 60
La 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: LaPrMn4Si4.
The XRD pattern shows main peaks at: 23.8°(0.47), 31.7°(0.07), 33.9°(0.84), 36.0°(1.0), 45.4°(0.39), 48.7°(0.21), 51.9°(0.11), 57.8°(0.42), 66.1°(0.12), 68.7°(0.14), 76.4°(0.12), 77.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom ty... | JVASP-109724 | 4.00 4.00 10.58
90 90 90
La 0.000 0.000 0.000
Pr 0.500 0.500 0.500
Mn 0.000 0.500 0.252
Mn 0.500 0.000 0.748
Mn 0.500 0.000 0.252
Mn 0.000 0.500 0.748
Si 0.500 0.500 0.131
Si 0.000 0.000 0.627
Si 0.000 0.000 0.373
Si 0.500 0.500 0.869 |
Below is a description of a material. | The chemical formula is: PrMnNi4.
The XRD pattern shows main peaks at: 30.5°(0.49), 35.5°(0.31), 41.2°(0.39), 42.5°(1.0), 46.1°(0.26), 47.5°(0.08), 59.5°(0.13), 60.7°(0.14), 63.5°(0.2), 68.5°(0.21), 75.1°(0.16), 82.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101128 | 5.06 5.06 3.94
90 90 120
Pr 0.000 0.000 0.000
Mn 0.333 0.667 0.000
Ni 0.667 0.333 0.000
Ni 0.502 0.004 0.500
Ni 0.996 0.498 0.500
Ni 0.502 0.498 0.500 |
Below is a description of a material. | The chemical formula is: MgHg3.
The XRD pattern shows main peaks at: 19.6°(0.08), 21.9°(0.23), 27.8°(0.06), 34.3°(1.0), 35.7°(0.07), 39.8°(0.5), 57.5°(0.35), 68.7°(0.41), 72.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103276 | 5.55 5.55 5.55
131 131 70
Mg 0.000 0.000 0.000
Hg 0.500 0.500 -0.000
Hg 0.750 0.250 0.500
Hg 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: GaGe3.
The XRD pattern shows main peaks at: 34.5°(0.24), 35.3°(0.28), 38.9°(1.0), 50.2°(0.16), 61.8°(0.16), 65.8°(0.2), 73.3°(0.21), 75.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100172 | 6.00 6.00 5.08
90 90 120
Ga 0.333 0.667 0.750
Ga 0.667 0.333 0.250
Ge 0.164 0.328 0.250
Ge 0.672 0.836 0.250
Ge 0.164 0.836 0.250
Ge 0.836 0.672 0.750
Ge 0.328 0.164 0.750
Ge 0.836 0.164 0.750 |
Below is a description of a material. | The chemical formula is: KMnCl.
The XRD pattern shows main peaks at: 16.3°(0.06), 20.9°(0.37), 26.6°(0.55), 29.7°(1.0), 33.0°(0.36), 39.4°(0.13), 42.5°(0.34), 45.0°(0.57), 47.8°(0.07), 50.8°(0.16), 54.8°(0.28), 59.3°(0.07), 61.6°(0.09), 69.9°(0.13), 71.7°(0.12), 77.1°(0.09), 79.5°(0.18).
Generate atomic structure descr... | JVASP-93896 | 6.02 6.90 6.90
51 64 64
K 0.250 0.750 0.750
K 0.750 0.250 0.250
Mn 0.500 0.000 0.000
Mn -0.000 0.500 0.500
Cl 0.250 0.250 0.250
Cl 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LuNi4As2.
The XRD pattern shows main peaks at: 26.7°(0.17), 35.4°(0.24), 36.8°(1.0), 39.7°(0.41), 43.0°(0.24), 44.9°(0.08), 46.7°(0.42), 48.3°(0.27), 52.5°(0.13), 58.4°(0.12), 61.3°(0.1), 64.2°(0.18), 66.4°(0.08), 70.1°(0.21), 74.1°(0.09), 74.8°(0.05), 75.6°(0.12), 82.5°(0.09), 86.2°(0.08), 89.... | JVASP-140192 | 3.77 7.18 7.18
90 90 90
Lu 0.000 0.500 0.500
Lu 0.500 0.000 0.000
Ni 0.500 0.154 0.589
Ni 0.500 0.846 0.411
Ni 0.000 0.346 0.089
Ni 0.000 0.654 0.911
Ni 0.500 0.589 0.154
Ni 0.500 0.411 0.846
Ni 0.000 0.089 0.346
Ni 0.000 0.911 0.654
As 0.500 0.717 0.717
As 0.500 0.283 0.283
As 0.000 0.783 0.217
As 0.000 0.217 0.783 |
Below is a description of a material. | The chemical formula is: InSCl.
The XRD pattern shows main peaks at: 12.1°(0.92), 20.6°(0.98), 26.7°(0.42), 29.1°(0.1), 29.6°(0.09), 31.6°(0.41), 33.5°(0.55), 34.3°(1.0), 35.8°(0.13), 36.9°(0.11), 43.4°(0.24), 47.7°(0.28), 48.7°(0.78), 50.0°(0.14), 50.7°(0.09), 53.3°(0.15), 60.3°(0.18), 61.5°(0.14), 80.7°(0.14), 82.0°(... | JVASP-138596 | 3.75 5.35 7.30
90 90 90
In 0.000 0.000 0.142
In 0.500 0.500 0.858
S 0.500 0.000 0.894
S 0.000 0.500 0.106
Cl 0.000 0.500 0.613
Cl 0.500 0.000 0.387 |
Below is a description of a material. | The chemical formula is: NbC.
The XRD pattern shows main peaks at: 34.4°(1.0), 39.9°(0.77), 57.7°(0.48), 68.9°(0.37), 72.5°(0.16), 86.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19889 | 3.19 3.19 3.19
59 60 60
Nb 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Be5Pt.
The XRD pattern shows main peaks at: 25.9°(1.0), 29.9°(0.55), 42.9°(0.47), 50.7°(0.63), 53.2°(0.15), 62.2°(0.07), 68.5°(0.22), 70.6°(0.2), 78.5°(0.18), 84.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149305 | 4.22 4.22 4.22
60 60 60
Be 0.250 0.250 0.250
Be 0.624 0.624 0.127
Be 0.624 0.624 0.624
Be 0.127 0.624 0.624
Be 0.624 0.127 0.624
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: H4N.
The XRD pattern shows main peaks at: 22.2°(1.0), 31.5°(0.51), 38.9°(0.17), 50.9°(0.13), 56.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108170 | 4.01 4.01 4.01
90 90 90
H 0.151 0.151 0.849
H 0.151 0.849 0.151
H 0.849 0.151 0.151
H 0.849 0.849 0.849
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfH2.
The XRD pattern shows main peaks at: 33.1°(1.0), 36.5°(0.4), 41.9°(0.14), 52.6°(0.14), 56.7°(0.23), 63.5°(0.33), 69.4°(0.12), 70.9°(0.12), 86.9°(0.07), 88.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18459 | 3.27 3.27 3.27
97 115 115
Hf 0.000 0.000 0.000
H 0.500 0.250 0.750
H 0.500 0.750 0.250 |
Below is a description of a material. | The chemical formula is: CaW2N2.
The XRD pattern shows main peaks at: 11.6°(0.52), 23.3°(0.19), 26.5°(1.0), 29.0°(0.79), 35.2°(0.34), 35.6°(0.47), 37.9°(0.53), 39.7°(0.14), 44.6°(0.49), 52.7°(0.53), 54.6°(0.25), 55.3°(0.13), 61.7°(0.2), 63.0°(0.17), 66.7°(0.25), 73.1°(0.25), 80.9°(0.08), 81.5°(0.08).
Generate atomic st... | JVASP-8295 | 3.36 3.36 7.64
90 90 90
Ca 0.000 0.000 0.250
W 0.500 0.500 0.917
W 0.500 0.500 0.583
N 0.500 0.000 0.461
N 0.000 0.500 0.039 |
Below is a description of a material. | The chemical formula is: BaSiBr.
The XRD pattern shows main peaks at: 17.8°(0.2), 19.3°(0.46), 23.6°(1.0), 28.4°(0.53), 29.7°(0.12), 30.7°(0.32), 31.3°(0.33), 33.0°(0.19), 33.7°(0.35), 37.2°(0.55), 39.6°(0.37), 41.0°(0.23), 41.5°(0.35), 48.3°(0.14), 50.5°(0.16), 56.5°(0.22), 57.0°(0.15), 58.7°(0.17), 60.2°(0.13), 60.9°... | JVASP-135813 | 6.32 5.82 3.77
90 90 52
Ba 0.106 -0.197 0.000
Si -0.207 0.515 0.000
Br 0.457 0.053 0.000 |
Below is a description of a material. | The chemical formula is: Li.
The XRD pattern shows main peaks at: 28.4°(0.9), 34.9°(0.35), 45.6°(1.0), 50.2°(0.38), 66.4°(0.15), 70.1°(0.12), 73.8°(0.14), 77.3°(0.19), 80.8°(0.17), 87.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25263 | 4.45 4.45 4.45
90 90 90
Li 0.875 0.125 0.625
Li 0.375 0.375 0.375
Li 0.125 0.625 0.875
Li 0.625 0.875 0.125 |
Below is a description of a material. | The chemical formula is: La5Bi3.
The XRD pattern shows main peaks at: 10.5°(0.13), 22.6°(0.16), 26.6°(0.27), 28.0°(0.2), 31.1°(1.0), 31.9°(0.65), 32.4°(0.81), 34.2°(0.1), 39.4°(0.12), 40.9°(0.25), 46.1°(0.21), 49.8°(0.25), 54.7°(0.1), 61.6°(0.19), 64.8°(0.16).
Generate atomic structure description with lattice lengths,... | JVASP-169538 | 6.71 9.73 9.73
119 90 90
La 0.500 0.333 0.667
La 0.500 0.667 0.333
La -0.000 0.667 0.333
La -0.000 0.333 0.667
La 0.750 0.252 0.000
La 0.750 0.748 0.748
La 0.750 -0.000 0.252
La 0.250 0.748 -0.000
La 0.250 0.252 0.252
La 0.250 0.000 0.748
Bi 0.750 0.615 -0.000
Bi 0.750 0.385 0.385
Bi 0.750 -0.000 0.615
Bi 0.250 0.385 0... |
Below is a description of a material. | The chemical formula is: AgSbS2.
The XRD pattern shows main peaks at: 25.7°(0.88), 28.0°(0.27), 28.6°(0.23), 29.1°(0.08), 30.8°(1.0), 32.3°(0.54), 40.6°(0.13), 41.2°(0.06), 44.8°(0.33), 47.3°(0.17), 50.0°(0.21), 50.4°(0.21), 52.8°(0.13), 54.3°(0.11), 57.8°(0.09), 64.1°(0.07), 65.2°(0.1), 70.2°(0.06).
Generate atomic st... | JVASP-9447 | 4.45 6.82 13.36
97 90 109
Ag 0.500 0.000 0.000
Ag 0.023 -0.000 0.750
Ag 0.500 -0.000 0.500
Ag -0.023 -0.000 0.250
Sb 0.287 0.507 0.625
Sb 0.780 0.493 0.875
Sb 0.713 0.493 0.375
Sb 0.220 0.507 0.125
S 0.282 0.219 0.918
S 0.064 0.781 0.582
S 0.718 0.781 0.082
S 0.936 0.219 0.418
S 0.502 0.284 0.199
S 0.782 0.284 0.699
S ... |
Below is a description of a material. | The chemical formula is: AgCN.
The XRD pattern shows main peaks at: 17.0°(0.58), 30.2°(1.0), 34.4°(0.17), 34.9°(0.6), 46.4°(0.41), 53.7°(0.16), 56.7°(0.16), 61.9°(0.18), 62.8°(0.1), 65.3°(0.14), 73.6°(0.09), 78.5°(0.09), 86.4°(0.07), 87.2°(0.08), 89.7°(0.09).
Generate atomic structure description with lattice lengths, ... | JVASP-138039 | 3.42 3.42 5.21
90 90 120
Ag 0.000 0.000 0.017
C 0.000 0.000 0.403
N 0.000 0.000 0.626 |
Below is a description of a material. | The chemical formula is: Nb2GaCo3.
The XRD pattern shows main peaks at: 36.6°(0.5), 41.3°(0.73), 42.5°(0.1), 43.8°(1.0), 44.2°(0.66), 47.6°(0.14), 49.0°(0.09), 65.9°(0.09), 69.1°(0.26), 70.9°(0.23), 76.8°(0.25), 77.8°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-177498 | 4.91 4.91 7.64
90 90 59
Nb 0.333 0.333 0.560
Nb 0.667 0.667 0.440
Nb 0.667 0.667 0.060
Nb 0.333 0.333 0.940
Ga 0.000 -0.000 0.500
Ga 0.000 -0.000 -0.000
Co 0.827 0.346 0.750
Co 0.346 0.827 0.750
Co 0.827 0.827 0.750
Co 0.173 0.654 0.250
Co 0.654 0.173 0.250
Co 0.173 0.173 0.250 |
Below is a description of a material. | The chemical formula is: BHC.
The XRD pattern shows main peaks at: 24.6°(1.0), 25.0°(0.72), 35.3°(0.4), 50.4°(0.07), 57.0°(0.07), 57.7°(0.06), 71.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114488 | 4.53 2.82 3.62
90 90 128
B 0.211 0.204 0.000
H -0.172 0.322 0.000
C 0.143 -0.364 0.000 |
Below is a description of a material. | The chemical formula is: RbHgSb.
The XRD pattern shows main peaks at: 16.6°(0.46), 20.9°(0.08), 22.5°(0.11), 26.8°(1.0), 33.5°(0.25), 36.6°(0.59), 40.4°(0.31), 45.9°(0.24), 50.5°(0.44), 60.1°(0.2), 65.8°(0.1), 75.9°(0.14), 87.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-156272 | 4.91 4.91 10.69
90 90 60
Rb 0.000 0.000 0.000
Rb 0.000 0.000 0.500
Hg 0.667 0.667 0.250
Hg 0.333 0.333 0.750
Sb 0.333 0.333 0.250
Sb 0.667 0.667 0.750 |
Below is a description of a material. | The chemical formula is: LuOF.
The XRD pattern shows main peaks at: 16.5°(0.26), 23.4°(0.19), 27.1°(1.0), 30.4°(0.98), 33.3°(0.56), 34.6°(0.12), 38.7°(0.37), 43.6°(0.1), 47.9°(0.44), 48.9°(0.19), 51.1°(0.09), 52.1°(0.13), 53.8°(0.16), 55.9°(0.1), 56.7°(0.12), 57.8°(0.16), 59.5°(0.22), 62.4°(0.1), 63.3°(0.15), 79.8°(0.0... | JVASP-168819 | 5.37 5.44 5.47
99 90 90
Lu 0.974 0.694 0.787
Lu 0.026 0.306 0.213
Lu 0.474 0.306 0.713
Lu 0.526 0.694 0.287
O 0.747 0.460 0.990
O 0.253 0.540 0.010
O 0.247 0.540 0.510
O 0.753 0.460 0.490
F 0.681 0.945 0.650
F 0.319 0.055 0.350
F 0.181 0.055 0.850
F 0.819 0.945 0.150 |
Below is a description of a material. | The chemical formula is: Ca3Xe.
The XRD pattern shows main peaks at: 15.4°(0.29), 21.9°(0.27), 26.9°(1.0), 31.1°(0.47), 34.9°(0.16), 38.4°(0.13), 44.6°(0.35), 47.5°(0.09), 50.2°(0.06), 52.9°(0.4), 55.4°(0.12), 60.3°(0.07), 64.9°(0.05), 67.2°(0.05), 71.6°(0.16), 73.8°(0.14), 82.2°(0.11), 88.4°(0.12).
Generate atomic str... | JVASP-129908 | 5.74 5.74 5.74
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
Xe 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeTl2Se.
The XRD pattern shows main peaks at: 21.7°(0.5), 33.5°(1.0), 35.9°(0.17), 40.3°(0.23), 46.2°(0.15), 49.9°(0.06), 53.3°(0.09), 55.0°(0.19), 58.2°(0.08), 63.0°(0.16), 66.0°(0.05), 68.9°(0.25), 70.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-68581 | 5.92 5.92 5.92
135 135 64
Be 0.500 0.500 0.000
Tl 0.000 0.000 0.000
Tl 0.250 0.750 0.500
Se 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: MgAgSb.
The XRD pattern shows main peaks at: 23.5°(0.83), 38.9°(1.0), 45.9°(0.39), 56.1°(0.15), 61.7°(0.16), 70.4°(0.34), 75.4°(0.12), 83.4°(0.1), 88.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36263 | 4.63 4.63 4.63
60 60 60
Mg 0.500 0.500 0.500
Ag 0.750 0.750 0.750
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TlFeF3.
The XRD pattern shows main peaks at: 21.2°(0.27), 30.2°(1.0), 37.2°(0.26), 43.3°(0.29), 53.7°(0.38), 62.8°(0.2), 79.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36884 | 4.18 4.18 4.18
89 89 89
Tl 0.990 0.992 0.994
Fe 0.490 0.492 0.494
F 0.990 0.492 0.494
F 0.490 0.992 0.494
F 0.490 0.492 0.994 |
Below is a description of a material. | The chemical formula is: BiPb3.
The XRD pattern shows main peaks at: 30.8°(1.0), 35.7°(0.52), 51.3°(0.41), 61.0°(0.49), 64.1°(0.13), 75.5°(0.07), 83.7°(0.22), 86.4°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126367 | 5.04 5.04 5.04
90 90 90
Bi 0.000 0.500 0.000
Pb 0.000 0.000 0.500
Pb 0.500 0.500 0.500
Pb 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AgClO2.
The XRD pattern shows main peaks at: 9.7°(1.0), 19.4°(0.29), 23.4°(0.11), 29.3°(0.06), 32.1°(0.35), 34.8°(0.24), 38.4°(0.09), 39.4°(0.06), 40.2°(0.15), 42.1°(0.14), 47.2°(0.1), 47.9°(0.1), 49.8°(0.06), 53.5°(0.05), 55.7°(0.07).
Generate atomic structure description with lattice lengths,... | JVASP-36801 | 3.48 4.86 9.47
75 89 89
Ag -0.000 0.500 0.500
Ag 0.500 0.000 0.500
Cl 0.750 0.352 0.297
Cl 0.250 0.648 0.703
O 0.751 0.910 0.925
O 0.749 0.164 0.925
O 0.251 0.836 0.075
O 0.249 0.090 0.075 |
Below is a description of a material. | The chemical formula is: RbBe2BO3F2.
The XRD pattern shows main peaks at: 13.6°(0.06), 23.4°(0.48), 24.7°(0.22), 27.3°(0.33), 29.4°(1.0), 32.5°(0.14), 39.8°(0.22), 40.3°(0.36), 42.7°(0.49), 43.8°(0.17), 47.1°(0.1), 49.4°(0.11), 50.7°(0.15), 52.4°(0.12), 57.0°(0.1), 57.9°(0.09), 66.7°(0.13), 73.3°(0.11), 86.3°(0.06).
Ge... | JVASP-21476 | 4.47 4.47 7.02
108 90 119
Rb 0.005 0.000 -0.000
Be 0.809 0.609 0.414
Be 0.200 0.391 0.586
B 0.505 -0.000 0.500
O 0.813 0.000 0.500
O 0.197 0.692 0.500
O 0.505 0.308 0.500
F 0.730 0.451 0.177
F 0.279 0.549 0.823 |
Below is a description of a material. | The chemical formula is: Co3O2F4.
The XRD pattern shows main peaks at: 27.1°(1.0), 28.6°(1.0), 35.9°(0.78), 39.5°(0.1), 40.2°(0.08), 40.6°(0.1), 41.7°(0.15), 53.5°(0.16), 53.9°(0.32), 54.2°(0.18), 55.3°(0.18), 55.7°(0.3), 59.2°(0.16), 61.8°(0.19), 69.0°(0.14), 69.4°(0.2), 70.2°(0.11).
Generate atomic structure descript... | JVASP-119727 | 4.50 5.45 7.57
85 88 87
Co 0.528 0.512 0.008
Co 0.463 0.185 0.348
Co 0.499 0.833 0.662
Co -0.001 0.341 0.673
Co 0.006 0.652 0.312
Co 0.981 0.983 0.004
O 0.302 0.458 0.228
O 0.291 0.135 0.572
O 0.810 0.700 0.101
O 0.704 0.545 0.768
F 0.203 0.292 0.910
F 0.805 0.381 0.426
F 0.787 0.044 0.770
F 0.702 0.195 0.115
F 0.713 0... |
Below is a description of a material. | The chemical formula is: TlGeF.
The XRD pattern shows main peaks at: 21.1°(0.81), 30.1°(0.4), 37.0°(1.0), 43.0°(0.14), 48.4°(0.62), 53.4°(0.15), 58.0°(0.12), 66.7°(0.28), 75.0°(0.28), 78.8°(0.08), 86.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134743 | 4.86 4.86 2.97
90 90 120
Tl 0.667 0.333 0.000
Ge 0.333 0.667 0.000
F 0.000 0.000 0.000 |
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