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: TeWS.
The XRD pattern shows main peaks at: 2.3°(1.0), 4.5°(0.13), 11.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28839 | 3.37 3.37 39.22
90 90 120
Te 0.333 0.667 0.707
Te 0.667 0.333 0.420
Te 0.667 0.333 0.517
Te 0.333 0.667 0.610
W 0.333 0.667 0.094
W 0.333 0.667 0.468
W 0.667 0.333 0.282
W 0.667 0.333 0.659
S 0.333 0.667 0.320
S 0.667 0.333 0.055
S 0.667 0.333 0.133
S 0.333 0.667 0.243 |
Below is a description of a material. | The chemical formula is: K2SnCl6.
The XRD pattern shows main peaks at: 15.4°(1.0), 17.8°(0.41), 25.3°(0.35), 29.7°(0.59), 31.0°(0.19), 36.0°(0.81), 39.6°(0.12), 40.4°(0.12), 44.5°(0.19), 47.3°(0.14), 51.7°(0.22), 54.3°(0.12), 64.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-54980 | 7.02 7.08 12.15
90 124 90
K 0.736 0.545 0.748
K 0.264 0.455 0.252
K 0.736 0.955 0.248
K 0.264 0.045 0.752
Sn -0.000 0.500 0.500
Sn 0.000 0.000 0.000
Cl 0.230 0.718 0.025
Cl 0.187 0.001 0.244
Cl 0.312 0.207 0.031
Cl 0.813 0.999 0.756
Cl 0.312 0.293 0.531
Cl 0.770 0.218 0.475
Cl 0.230 0.782 0.525
Cl 0.187 0.499 0.744
Cl ... |
Below is a description of a material. | The chemical formula is: HIr3.
The XRD pattern shows main peaks at: 23.6°(0.37), 33.7°(0.3), 41.5°(1.0), 48.3°(0.48), 54.5°(0.17), 60.2°(0.12), 70.8°(0.34), 75.8°(0.08), 80.7°(0.05), 85.5°(0.39).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129221 | 3.77 3.77 3.77
90 90 90
H 0.000 0.000 0.000
Ir 0.000 0.500 0.500
Ir 0.500 0.000 0.500
Ir 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ThV2PbO8.
The XRD pattern shows main peaks at: 18.5°(0.4), 28.4°(1.0), 30.0°(0.17), 34.3°(0.22), 39.3°(0.16), 41.7°(0.1), 45.0°(0.1), 46.2°(0.28), 49.3°(0.11), 52.3°(0.18), 57.9°(0.27), 58.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176392 | 5.23 5.23 7.01
68 68 90
Th 0.625 0.375 0.750
V 0.875 0.125 0.250
V 0.125 0.875 0.750
Pb 0.375 0.625 0.250
O 0.671 0.288 0.417
O 0.912 0.795 0.417
O 0.302 0.947 0.895
O 0.802 0.658 0.895
O 0.342 0.698 0.605
O 0.053 0.198 0.605
O 0.712 0.088 0.083
O 0.205 0.329 0.083 |
Below is a description of a material. | The chemical formula is: LiAc3.
The XRD pattern shows main peaks at: 16.4°(0.26), 23.2°(0.26), 28.5°(1.0), 33.1°(0.47), 37.1°(0.16), 40.8°(0.12), 47.4°(0.36), 50.5°(0.09), 53.5°(0.05), 56.3°(0.47), 59.0°(0.13), 64.3°(0.07), 69.3°(0.06), 76.6°(0.19), 79.0°(0.18), 88.3°(0.14).
Generate atomic structure description with l... | JVASP-104586 | 5.42 5.42 5.42
90 90 90
Li 0.000 0.000 0.000
Ac 0.500 0.000 0.500
Ac 0.000 0.500 0.500
Ac 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MoW3Se4S4.
The XRD pattern shows main peaks at: 2.7°(1.0), 5.3°(0.25), 8.0°(0.07), 13.4°(0.17), 31.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29171 | 3.26 3.26 33.11
90 90 120
Mo 0.333 0.666 0.087
W 0.334 0.667 0.470
W 0.666 0.333 0.282
W 0.667 0.334 0.664
Se 0.333 0.667 0.716
Se 0.667 0.333 0.036
Se 0.667 0.333 0.138
Se 0.333 0.667 0.612
S 0.333 0.666 0.329
S 0.667 0.333 0.423
S 0.667 0.334 0.517
S 0.333 0.666 0.235 |
Below is a description of a material. | The chemical formula is: CeGa2Ni.
The XRD pattern shows main peaks at: 26.3°(0.12), 29.8°(0.27), 30.9°(0.2), 34.2°(1.0), 37.8°(0.15), 40.1°(0.08), 42.2°(0.38), 43.3°(0.25), 43.8°(0.27), 47.1°(0.11), 53.5°(0.1), 57.3°(0.06), 58.9°(0.07), 62.5°(0.21), 63.3°(0.17), 65.9°(0.08), 73.7°(0.09), 74.3°(0.1), 78.7°(0.05).
Genera... | JVASP-149838 | 8.98 8.98 4.13
90 90 153
Ce 0.642 0.358 0.500
Ce 0.358 0.642 0.500
Ga 0.790 0.210 0.000
Ga 0.210 0.790 0.000
Ga 0.000 0.000 0.500
Ga 0.500 0.500 0.000
Ni 0.926 0.074 0.000
Ni 0.074 0.926 0.000 |
Below is a description of a material. | The chemical formula is: Mn2ZnO4.
The XRD pattern shows main peaks at: 29.1°(0.45), 31.1°(0.19), 32.7°(0.72), 36.2°(1.0), 36.7°(0.1), 38.5°(0.11), 44.5°(0.11), 51.4°(0.2), 56.3°(0.1), 58.7°(0.31), 60.3°(0.54), 64.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11484 | 5.75 5.75 6.20
117 117 89
Mn 0.000 0.000 0.000
Mn 0.500 -0.000 0.500
Mn -0.000 -0.000 0.500
Mn 0.000 0.500 -0.000
Zn 0.625 0.375 0.250
Zn 0.375 0.625 0.750
O 0.755 0.779 0.510
O 0.770 0.245 0.990
O 0.221 0.245 0.990
O 0.245 0.221 0.490
O 0.245 0.770 0.490
O 0.230 0.755 0.010
O 0.755 0.230 0.510
O 0.779 0.755 0.010 |
Below is a description of a material. | The chemical formula is: In2Si2O7.
The XRD pattern shows main peaks at: 16.9°(0.27), 19.1°(0.5), 20.4°(0.13), 27.3°(0.13), 28.1°(1.0), 29.7°(0.59), 33.8°(0.38), 34.3°(0.29), 37.0°(0.13), 37.5°(0.12), 40.7°(0.3), 42.5°(0.26), 43.0°(0.12), 47.6°(0.2), 49.9°(0.1), 52.5°(0.13), 54.9°(0.22), 56.2°(0.1), 59.5°(0.22), 60.5°(0... | JVASP-9142 | 4.75 5.50 5.50
104 97 97
In 0.000 0.307 0.693
In -0.000 0.693 0.307
Si 0.411 0.220 0.220
Si 0.589 0.780 0.780
O 0.780 0.921 0.608
O 0.220 0.392 0.079
O 0.220 0.079 0.392
O 0.780 0.608 0.921
O 0.500 -0.000 0.000
O 0.282 0.610 0.610
O 0.718 0.390 0.390 |
Below is a description of a material. | The chemical formula is: ZnHg3.
The XRD pattern shows main peaks at: 19.3°(0.11), 27.4°(0.09), 33.8°(1.0), 39.2°(0.53), 44.0°(0.06), 56.6°(0.37), 67.6°(0.42), 71.0°(0.13), 84.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79359 | 4.60 4.60 4.60
90 90 90
Zn 0.000 0.000 0.000
Hg 0.000 0.500 0.500
Hg 0.500 1.000 0.500
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: RbCu2H3Se2O10.
The XRD pattern shows main peaks at: 17.3°(0.24), 18.3°(0.4), 19.4°(0.17), 24.6°(0.41), 26.2°(1.0), 27.3°(0.16), 29.5°(0.67), 30.1°(0.66), 32.2°(0.56), 33.8°(0.52), 34.4°(0.31), 35.0°(0.31), 37.1°(0.18), 50.5°(0.16), 51.4°(0.31), 51.9°(0.33), 53.9°(0.22), 56.3°(0.21), 59.1°(0.23)... | JVASP-137450 | 5.66 5.66 7.97
68 68 70
Rb 0.000 0.000 0.000
Cu 0.500 -0.000 0.500
Cu 0.000 0.500 0.500
H 0.806 0.806 0.708
H 0.194 0.194 0.292
H 0.000 -0.000 0.500
Se 0.573 0.573 0.217
Se 0.427 0.427 0.783
O 0.331 0.757 0.722
O 0.669 0.243 0.278
O 0.687 0.687 0.988
O 0.313 0.313 0.012
O 0.686 0.686 0.333
O 0.850 0.850 0.570
O 0.314 0... |
Below is a description of a material. | The chemical formula is: BaNbCd.
The XRD pattern shows main peaks at: 19.7°(0.33), 22.7°(0.07), 32.4°(1.0), 38.1°(0.18), 46.4°(0.19), 50.9°(0.08), 57.7°(0.38), 61.6°(0.07), 67.7°(0.11), 71.3°(0.06), 77.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-66518 | 5.53 5.53 5.53
60 60 60
Ba 0.750 0.750 0.750
Nb 0.500 0.500 0.500
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: La4PS3.
The XRD pattern shows main peaks at: 26.1°(0.67), 30.2°(1.0), 43.2°(0.73), 51.2°(0.34), 53.6°(0.25), 62.8°(0.11), 69.2°(0.13), 71.2°(0.32), 79.3°(0.22), 85.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189869 | 5.92 5.92 5.92
90 90 90
La 0.500 0.000 0.000
La 0.000 0.500 0.000
La 0.000 0.000 0.500
La 0.500 0.500 0.500
P 0.000 0.000 0.000
S 0.000 0.500 0.500
S 0.500 0.000 0.500
S 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaSr2MgSi2O8.
The XRD pattern shows main peaks at: 22.4°(0.55), 31.5°(0.75), 32.4°(1.0), 38.2°(0.2), 39.8°(0.33), 45.8°(0.49), 50.9°(0.22), 52.2°(0.13), 55.4°(0.11), 57.2°(0.28), 57.8°(0.18), 65.7°(0.13), 67.8°(0.18), 71.4°(0.09), 75.2°(0.1), 76.7°(0.13), 80.6°(0.11).
Generate atomic structure ... | JVASP-35125 | 5.53 5.53 7.07
90 90 120
Ba 0.000 0.000 0.500
Sr 0.333 0.667 0.839
Sr 0.667 0.333 0.161
Mg 0.000 0.000 0.000
Si 0.333 0.667 0.271
Si 0.667 0.333 0.729
O 0.333 0.667 0.500
O 0.667 0.333 0.500
O 0.175 0.825 0.177
O 0.175 0.349 0.177
O 0.651 0.825 0.177
O 0.825 0.175 0.823
O 0.825 0.651 0.823
O 0.349 0.175 0.823 |
Below is a description of a material. | The chemical formula is: CeMgTl.
The XRD pattern shows main peaks at: 23.2°(0.7), 26.9°(0.11), 30.0°(0.49), 33.0°(1.0), 38.1°(0.26), 40.7°(0.56), 45.1°(0.17), 47.4°(0.16), 57.0°(0.2), 62.4°(0.15), 64.3°(0.19), 65.7°(0.13), 74.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-158645 | 7.67 7.67 4.72
90 90 120
Ce 0.423 0.000 0.000
Ce 0.000 0.423 0.000
Ce 0.577 0.577 0.000
Mg 0.757 0.000 0.500
Mg 0.243 0.243 0.500
Mg 0.000 0.757 0.500
Tl 0.000 0.000 0.000
Tl 0.667 0.333 0.500
Tl 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: TmSb.
The XRD pattern shows main peaks at: 33.8°(1.0), 48.6°(0.16), 60.5°(0.36), 71.1°(0.11), 81.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36032 | 3.75 3.75 3.75
90 90 90
Tm 0.000 0.000 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ir3Se.
The XRD pattern shows main peaks at: 22.5°(0.1), 32.0°(0.08), 39.5°(1.0), 45.9°(0.54), 66.9°(0.36), 80.5°(0.42), 84.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129262 | 3.96 3.96 3.96
90 90 90
Ir 0.000 0.500 0.500
Ir 0.500 0.000 0.500
Ir 0.500 0.500 0.000
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Cd2As3I.
The XRD pattern shows main peaks at: 22.4°(0.26), 28.1°(0.38), 28.7°(1.0), 31.8°(0.29), 32.3°(0.11), 33.3°(0.11), 34.8°(0.11), 36.9°(0.07), 41.1°(0.08), 43.8°(0.17), 44.9°(0.19), 45.6°(0.29), 47.2°(0.07), 47.7°(0.17), 48.9°(0.1), 52.0°(0.1), 53.0°(0.11), 58.0°(0.07), 73.5°(0.07), 76.5°... | JVASP-12780 | 6.48 6.48 8.09
97 97 97
Cd 0.859 0.147 0.010
Cd 0.365 0.653 0.914
Cd 0.147 0.859 0.510
Cd 0.653 0.365 0.414
As 0.679 0.581 0.739
As 0.581 0.679 0.239
As 0.545 0.966 0.462
As 0.966 0.545 0.962
As 0.833 0.930 0.685
As 0.930 0.833 0.185
I 0.129 0.382 0.462
I 0.382 0.129 0.962 |
Below is a description of a material. | The chemical formula is: Mn2CoSn.
The XRD pattern shows main peaks at: 25.5°(0.13), 29.5°(0.05), 42.2°(1.0), 50.0°(0.07), 61.3°(0.16), 77.2°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79435 | 4.28 4.28 4.28
60 60 60
Mn 0.000 0.000 0.000
Mn 0.250 0.250 0.250
Co 0.500 0.500 0.500
Sn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CaTcO3.
The XRD pattern shows main peaks at: 22.9°(0.7), 32.3°(0.89), 33.0°(1.0), 46.9°(0.61), 53.3°(0.16), 57.7°(0.24), 58.1°(0.4), 59.4°(0.16), 67.7°(0.14), 69.2°(0.17), 78.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36950 | 5.43 5.43 5.43
61 61 61
Ca 0.256 0.256 0.256
Ca 0.756 0.756 0.756
Tc 0.006 0.006 0.006
Tc 0.506 0.506 0.506
O 0.256 0.837 0.675
O 0.837 0.675 0.256
O 0.675 0.256 0.837
O 0.175 0.337 0.756
O 0.756 0.175 0.337
O 0.337 0.756 0.175 |
Below is a description of a material. | The chemical formula is: Ba4CaBi3O12.
The XRD pattern shows main peaks at: 14.4°(0.11), 29.0°(1.0), 41.4°(0.31), 51.3°(0.45), 60.0°(0.2), 68.0°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148128 | 7.55 7.55 7.55
109 109 109
Ba 0.500 0.500 0.500
Ba -0.000 0.500 -0.000
Ba 0.000 0.000 0.500
Ba 0.500 0.000 -0.000
Ca 0.000 0.000 0.000
Bi 0.500 0.500 -0.000
Bi 0.500 0.000 0.500
Bi -0.000 0.500 0.500
O 0.250 0.500 0.750
O 0.259 0.000 0.259
O 0.000 0.259 0.259
O -0.000 0.741 0.741
O 0.250 0.750 0.500
O 0.750 0.250 0.500... |
Below is a description of a material. | The chemical formula is: MgHg3.
The XRD pattern shows main peaks at: 19.6°(0.23), 27.8°(0.21), 34.2°(1.0), 39.7°(0.5), 44.7°(0.11), 49.2°(0.09), 57.5°(0.33), 61.3°(0.06), 68.6°(0.43), 72.1°(0.12), 85.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173629 | 4.54 4.54 4.54
90 90 90
Mg -0.000 0.000 0.000
Hg 0.500 0.500 -0.000
Hg 0.500 -0.000 0.500
Hg -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: La2Co3.
The XRD pattern shows main peaks at: 23.5°(0.17), 31.1°(0.6), 34.2°(1.0), 34.9°(0.17), 36.9°(0.16), 37.3°(0.1), 39.5°(0.58), 43.1°(0.39), 44.5°(0.28), 52.3°(0.11), 54.1°(0.21), 55.5°(0.07), 59.1°(0.09), 63.5°(0.08), 64.4°(0.12), 65.3°(0.15), 67.0°(0.14), 70.0°(0.07), 73.2°(0.1), 79.8°(0... | JVASP-150545 | 5.68 5.68 7.63
90 90 129
La 0.151 0.849 0.589
La 0.349 0.651 0.089
La 0.651 0.349 0.911
La 0.849 0.151 0.411
Co 0.000 0.000 0.000
Co 0.500 0.500 0.500
Co 0.658 0.842 0.750
Co 0.842 0.658 0.250
Co 0.342 0.158 0.250
Co 0.158 0.342 0.750 |
Below is a description of a material. | The chemical formula is: Tl2GeCl6.
The XRD pattern shows main peaks at: 15.7°(0.11), 18.2°(0.41), 25.8°(1.0), 31.8°(0.64), 36.8°(0.57), 41.4°(0.22), 45.5°(0.45), 53.1°(0.37), 59.9°(0.21), 63.2°(0.22), 66.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157766 | 6.90 6.90 6.90
60 60 60
Tl 0.250 0.250 0.250
Tl 0.750 0.750 0.750
Ge 0.000 0.000 0.000
Cl 0.239 0.761 0.239
Cl 0.761 0.761 0.239
Cl 0.761 0.239 0.239
Cl 0.239 0.239 0.761
Cl 0.761 0.239 0.761
Cl 0.239 0.761 0.761 |
Below is a description of a material. | The chemical formula is: MgSiNi.
The XRD pattern shows main peaks at: 25.8°(0.32), 27.9°(0.28), 38.4°(1.0), 45.6°(0.63), 54.3°(0.25), 57.7°(0.1), 61.1°(0.23), 76.5°(0.26), 79.4°(0.21), 84.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180166 | 3.98 3.98 3.19
90 90 119
Mg -0.000 0.000 0.000
Si 0.667 0.333 0.500
Ni 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Ti2PdN.
The XRD pattern shows main peaks at: 21.8°(0.63), 33.5°(0.72), 40.3°(1.0), 44.4°(0.5), 50.0°(0.14), 51.7°(0.14), 56.7°(0.36), 64.6°(0.15), 70.4°(0.21), 79.0°(0.26), 87.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161629 | 3.54 4.08 4.08
89 89 89
Ti 0.672 0.125 0.669
Ti 0.669 0.625 0.169
Pd 0.171 0.625 0.669
N 0.671 0.125 0.169 |
Below is a description of a material. | The chemical formula is: Li2MnF4.
The XRD pattern shows main peaks at: 17.8°(0.13), 20.9°(0.72), 27.6°(0.58), 29.7°(0.16), 34.9°(1.0), 42.1°(0.15), 46.5°(0.13), 47.4°(0.1), 47.8°(0.09), 51.5°(0.18), 57.0°(0.37), 59.8°(0.06), 61.4°(0.12), 61.7°(0.15), 64.1°(0.11), 72.9°(0.16).
Generate atomic structure description with ... | JVASP-48128 | 4.25 4.25 4.98
90 90 90
Li 0.500 0.000 0.500
Li 0.000 0.500 0.500
Mn 0.000 0.000 0.000
F 0.241 0.241 0.721
F 0.759 0.241 0.279
F 0.759 0.759 0.721
F 0.241 0.759 0.279 |
Below is a description of a material. | The chemical formula is: HfBe2V.
The XRD pattern shows main peaks at: 16.0°(0.65), 29.2°(1.0), 32.3°(0.38), 33.4°(0.47), 41.7°(0.47), 44.1°(0.81), 45.0°(0.2), 53.8°(0.35), 58.4°(0.09), 60.5°(0.16), 63.0°(0.08), 66.6°(0.09), 67.7°(0.05), 68.5°(0.16), 70.3°(0.16), 70.9°(0.13), 75.4°(0.13), 77.8°(0.28), 82.8°(0.12), 89.0°... | JVASP-71437 | 3.06 3.06 5.54
90 90 90
Hf 0.500 0.500 0.000
Be 0.000 0.000 0.701
Be 0.000 0.000 0.299
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfBeCd.
The XRD pattern shows main peaks at: 15.6°(0.23), 31.0°(0.68), 31.5°(0.35), 38.4°(1.0), 42.8°(0.43), 45.8°(0.06), 48.1°(0.08), 54.1°(0.3), 62.2°(0.12), 65.5°(0.21), 66.3°(0.12), 71.1°(0.13), 75.5°(0.26), 82.2°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-65313 | 6.06 6.06 6.06
151 151 40
Hf 0.645 0.645 0.000
Be 0.000 0.000 -0.000
Cd 0.354 0.354 0.000 |
Below is a description of a material. | The chemical formula is: PmSbRh2.
The XRD pattern shows main peaks at: 37.6°(1.0), 54.2°(0.16), 67.9°(0.33), 80.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40866 | 4.78 4.78 4.78
60 60 60
Pm 0.250 0.250 0.250
Sb 0.750 0.750 0.750
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiGaPdF6.
The XRD pattern shows main peaks at: 20.0°(0.16), 22.3°(0.29), 27.9°(1.0), 35.1°(0.2), 40.3°(0.18), 44.2°(0.07), 45.4°(0.24), 53.5°(0.39), 58.7°(0.23), 63.0°(0.16), 81.0°(0.1), 87.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10498 | 5.11 5.11 9.24
90 90 120
Li 0.667 0.333 0.750
Li 0.333 0.667 0.250
Ga 0.333 0.667 0.750
Ga 0.667 0.333 0.250
Pd 0.000 0.000 0.000
Pd 0.000 0.000 0.500
F 0.012 0.361 0.865
F 0.361 0.012 0.365
F 0.349 0.988 0.865
F 0.349 0.361 0.635
F 0.639 0.988 0.635
F 0.651 0.012 0.135
F 0.361 0.349 0.135
F 0.988 0.349 0.365
F 0.988 0... |
Below is a description of a material. | The chemical formula is: U2MnAl3.
The XRD pattern shows main peaks at: 19.2°(0.61), 21.3°(0.37), 32.9°(0.55), 35.5°(0.67), 38.9°(0.13), 40.6°(1.0), 41.7°(0.19), 49.1°(0.09), 50.5°(0.15), 62.1°(0.17), 63.2°(0.14), 63.7°(0.13), 67.2°(0.22), 75.1°(0.11).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-101093 | 5.48 5.48 5.48
55 55 55
U 0.142 0.142 0.142
U 0.858 0.858 0.858
Mn 0.500 0.500 0.500
Al 0.500 0.000 0.500
Al 0.000 0.500 0.500
Al 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: IrSe2.
The XRD pattern shows main peaks at: 17.2°(0.51), 27.7°(0.18), 32.8°(1.0), 45.0°(0.58), 49.0°(0.37), 52.3°(0.17), 60.2°(0.18), 61.0°(0.15), 68.7°(0.16), 81.2°(0.14), 81.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123673 | 3.72 3.72 5.16
90 89 119
Ir -0.000 0.333 0.167
Se 0.666 0.666 0.422
Se 0.334 0.001 0.911 |
Below is a description of a material. | The chemical formula is: Mn2BeFe.
The XRD pattern shows main peaks at: 16.6°(0.21), 33.1°(0.13), 33.6°(0.07), 37.2°(0.28), 47.4°(0.5), 47.8°(1.0), 69.4°(0.15), 70.6°(0.06), 72.5°(0.06), 88.6°(0.29), 89.5°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74055 | 2.71 2.71 5.34
90 90 90
Mn 0.000 0.000 0.011
Mn 0.500 0.500 0.258
Be 0.000 0.000 0.504
Fe 0.500 0.500 0.727 |
Below is a description of a material. | The chemical formula is: LaAlSi2.
The XRD pattern shows main peaks at: 7.7°(0.38), 15.5°(0.14), 23.3°(0.11), 24.5°(0.46), 25.7°(0.36), 29.1°(0.86), 34.1°(1.0), 39.3°(0.16), 43.1°(0.56), 46.9°(0.17), 49.6°(0.09), 52.9°(0.15), 56.0°(0.24), 59.8°(0.25), 70.5°(0.13), 73.2°(0.23), 79.1°(0.09).
Generate atomic structure desc... | JVASP-149957 | 4.20 4.20 11.46
90 90 119
La 0.000 1.000 0.184
La 1.000 0.000 0.816
Al 0.333 0.667 0.583
Al 0.667 0.333 0.417
Si 0.333 0.667 0.993
Si 0.667 0.333 0.007
Si 0.333 0.667 0.358
Si 0.667 0.333 0.642 |
Below is a description of a material. | The chemical formula is: LaPPdO.
The XRD pattern shows main peaks at: 10.8°(0.08), 21.7°(0.17), 23.8°(0.42), 30.5°(1.0), 32.1°(0.82), 32.8°(0.27), 37.4°(0.52), 43.2°(0.57), 48.8°(0.07), 49.9°(0.13), 53.8°(0.38), 54.4°(0.48), 55.2°(0.23), 62.7°(0.19), 71.3°(0.08), 72.2°(0.16), 72.6°(0.11), 75.4°(0.13), 87.1°(0.09), 87.7... | JVASP-159757 | 4.19 4.19 8.19
90 90 90
La 0.250 0.250 0.143
La 0.750 0.750 0.857
P 0.750 0.750 0.351
P 0.250 0.250 0.649
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500
O 0.750 0.250 0.000
O 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: ZnMoF6.
The XRD pattern shows main peaks at: 23.9°(1.0), 32.5°(0.37), 35.5°(0.13), 40.4°(0.11), 43.2°(0.14), 48.9°(0.15), 53.0°(0.31), 56.0°(0.07), 57.1°(0.15), 61.8°(0.12), 63.7°(0.13), 68.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100057 | 5.55 5.55 5.55
54 54 54
Zn 0.500 0.500 0.500
Mo 0.000 0.000 0.000
F 0.613 0.897 0.244
F 0.897 0.244 0.613
F 0.756 0.387 0.103
F 0.103 0.756 0.387
F 0.387 0.103 0.756
F 0.244 0.613 0.897 |
Below is a description of a material. | The chemical formula is: Tm2AgOs.
The XRD pattern shows main peaks at: 37.0°(1.0), 53.3°(0.18), 66.6°(0.38), 78.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41452 | 4.86 4.86 4.86
60 60 60
Tm 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Ag 0.250 0.250 0.250
Os 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NaScO2.
The XRD pattern shows main peaks at: 16.4°(0.36), 33.1°(0.15), 34.5°(0.22), 39.7°(1.0), 51.6°(0.07), 56.4°(0.29), 58.3°(0.27), 67.0°(0.06), 68.7°(0.07), 69.5°(0.06), 72.8°(0.15), 85.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-139594 | 5.71 5.71 5.71
32 32 32
Na 0.000 0.000 0.000
Sc 0.500 0.500 0.500
O 0.765 0.765 0.765
O 0.235 0.235 0.235 |
Below is a description of a material. | The chemical formula is: Tb7PtI12.
The XRD pattern shows main peaks at: 10.6°(0.14), 11.4°(0.31), 25.3°(0.11), 29.3°(1.0), 41.9°(0.69), 51.9°(0.25), 68.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146380 | 9.65 9.65 9.65
107 107 107
Tb 0.104 0.034 0.310
Tb 0.310 0.104 0.034
Tb 0.034 0.310 0.104
Tb 0.896 0.966 0.690
Tb 0.690 0.896 0.966
Tb 0.966 0.690 0.896
Tb 0.500 0.500 0.500
Pt 0.000 0.000 0.000
I 0.524 0.845 0.605
I 0.155 0.395 0.476
I 0.395 0.476 0.155
I 0.476 0.155 0.395
I 0.319 0.768 0.925
I 0.232 0.075 0.681
I 0.9... |
Below is a description of a material. | The chemical formula is: HoBeCu4.
The XRD pattern shows main peaks at: 20.3°(0.16), 31.1°(1.0), 35.6°(0.24), 41.3°(0.56), 43.0°(0.88), 47.5°(0.23), 61.2°(0.24), 64.8°(0.32), 69.0°(0.21), 75.4°(0.17), 85.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102740 | 5.04 5.04 3.83
90 90 120
Ho 0.667 0.333 0.000
Be 0.000 0.000 0.000
Cu 0.333 0.667 0.000
Cu 0.677 0.838 0.500
Cu 0.162 0.838 0.500
Cu 0.162 0.323 0.500 |
Below is a description of a material. | The chemical formula is: Li.
The XRD pattern shows main peaks at: 34.2°(0.23), 36.3°(0.26), 38.8°(1.0), 50.7°(0.15), 61.2°(0.16), 66.9°(0.19), 73.2°(0.2), 74.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15907 | 3.03 3.03 4.95
90 90 120
Li 0.333 0.667 0.750
Li 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: BeV2Hg.
The XRD pattern shows main peaks at: 15.0°(0.62), 28.7°(0.69), 30.2°(0.39), 32.5°(0.89), 41.0°(0.68), 42.1°(1.0), 43.9°(0.21), 46.0°(0.11), 51.8°(0.35), 55.1°(0.07), 59.4°(0.22), 61.6°(0.08), 63.3°(0.17), 67.3°(0.12), 68.1°(0.15), 69.4°(0.19), 70.5°(0.2), 75.5°(0.38), 77.8°(0.13), 78.3°... | JVASP-73953 | 3.11 3.11 5.92
90 90 90
Be 0.000 0.000 0.466
V 0.000 0.000 0.059
V 0.500 0.500 0.246
Hg 0.500 0.500 0.728 |
Below is a description of a material. | The chemical formula is: NdGd2.
The XRD pattern shows main peaks at: 31.5°(1.0), 41.0°(0.07), 45.1°(0.16), 56.1°(0.28), 62.6°(0.15), 65.8°(0.06), 74.7°(0.07), 80.5°(0.07), 89.0°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85341 | 5.68 5.68 3.48
90 90 120
Nd 0.000 0.000 0.000
Gd 0.333 0.667 0.500
Gd 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: SnH4.
The XRD pattern shows main peaks at: 9.2°(1.0), 18.4°(0.06), 21.6°(0.12), 27.0°(0.2), 34.2°(0.15), 35.1°(0.13), 36.3°(0.19), 39.6°(0.05), 40.5°(0.1), 53.5°(0.07), 57.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150552 | 3.09 4.55 9.62
89 90 90
Sn 0.250 0.249 0.411
Sn 0.750 0.751 0.589
H 0.250 0.685 -0.016
H 0.750 0.315 0.016
H 0.250 0.809 0.934
H 0.750 0.191 0.066
H 0.250 0.192 0.828
H 0.750 0.808 0.172
H 0.250 0.331 0.787
H 0.750 0.669 0.213 |
Below is a description of a material. | The chemical formula is: MgZnRh.
The XRD pattern shows main peaks at: 23.9°(0.5), 30.1°(0.46), 38.8°(0.86), 42.1°(1.0), 49.0°(0.08), 52.6°(0.57), 58.6°(0.24), 62.5°(0.09), 74.7°(0.22), 76.9°(0.15), 78.3°(0.29), 84.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183276 | 4.29 4.29 2.97
90 90 120
Mg 0.000 -0.000 -0.000
Zn 0.667 0.333 0.500
Rh 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: VBiPbO5.
The XRD pattern shows main peaks at: 13.4°(0.14), 14.4°(0.09), 20.3°(0.11), 23.2°(0.07), 26.1°(0.08), 26.9°(1.0), 29.9°(0.64), 31.2°(0.19), 32.0°(0.33), 35.5°(0.16), 39.9°(0.11), 44.0°(0.13), 45.3°(0.23), 48.5°(0.18), 51.1°(0.11), 54.0°(0.14), 55.7°(0.15), 57.0°(0.12), 62.0°(0.07), 62.... | JVASP-153739 | 7.25 7.25 7.14
69 69 45
V 0.164 0.164 0.349
V 0.836 0.836 0.651
Bi 0.488 0.488 0.255
Bi 0.512 0.512 0.745
Pb 0.840 0.840 0.120
Pb 0.160 0.160 0.880
O 0.913 0.913 0.394
O 0.087 0.087 0.606
O 0.390 0.890 0.226
O 0.110 0.610 0.774
O 0.610 0.110 0.774
O 0.890 0.390 0.226
O 0.301 0.301 0.305
O 0.699 0.699 0.695
O 0.737 0.26... |
Below is a description of a material. | The chemical formula is: CaScHg2.
The XRD pattern shows main peaks at: 24.6°(0.53), 35.1°(1.0), 43.3°(0.13), 50.4°(0.18), 56.9°(0.12), 62.9°(0.29), 74.1°(0.06), 84.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-76954 | 12.54 8.86 8.86
33 19 19
Ca 0.000 0.000 0.000
Sc 0.500 0.000 0.000
Hg 0.750 0.000 0.000
Hg 0.250 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: NdAlPd2.
The XRD pattern shows main peaks at: 19.6°(0.13), 27.0°(0.1), 31.0°(0.39), 31.9°(0.38), 32.5°(0.32), 35.0°(1.0), 38.2°(0.24), 39.1°(0.38), 39.8°(0.12), 41.3°(0.22), 43.2°(0.23), 51.1°(0.14), 51.9°(0.07), 54.7°(0.11), 59.1°(0.08), 61.4°(0.07), 62.7°(0.22), 63.5°(0.11), 70.1°(0.1), 75.8°... | JVASP-142205 | 5.92 7.05 7.49
90 90 90
Nd 0.346 0.750 0.031
Nd 0.154 0.750 0.531
Nd 0.654 0.250 0.969
Nd 0.846 0.250 0.469
Al 0.654 0.750 0.382
Al 0.846 0.750 0.882
Al 0.346 0.250 0.618
Al 0.154 0.250 0.118
Pd 0.914 0.552 0.179
Pd 0.586 0.948 0.679
Pd 0.086 0.052 0.821
Pd 0.414 0.448 0.321
Pd 0.086 0.448 0.821
Pd 0.414 0.052 0.321
Pd... |
Below is a description of a material. | The chemical formula is: Li2Ti2S5.
The XRD pattern shows main peaks at: 16.4°(0.47), 17.2°(1.0), 19.0°(0.11), 26.5°(0.11), 29.7°(0.82), 30.5°(0.15), 33.7°(0.68), 34.6°(0.13), 35.9°(0.11), 37.5°(0.45), 38.4°(0.1), 41.5°(0.14), 42.0°(0.19), 46.7°(0.13), 49.3°(0.16), 50.3°(0.22), 51.7°(0.11), 52.8°(0.15), 56.3°(0.18), 62.... | JVASP-50845 | 6.07 6.07 11.89
68 111 118
Li 0.173 0.558 0.676
Li 0.442 0.827 0.176
Li 0.558 0.173 0.824
Li 0.827 0.442 0.324
Ti 0.750 0.924 0.559
Ti 0.924 0.750 0.941
Ti 0.076 0.250 0.059
Ti 0.250 0.076 0.441
S 0.985 0.812 0.140
S 0.363 0.363 0.250
S 0.812 0.985 0.360
S 0.188 0.015 0.640
S 0.289 0.715 0.959
S 0.015 0.188 0.860
S 0.2... |
Below is a description of a material. | The chemical formula is: CdSeBr2.
The XRD pattern shows main peaks at: 11.9°(0.25), 23.9°(0.74), 25.2°(0.17), 31.5°(1.0), 32.8°(0.1), 33.8°(0.09), 36.1°(0.09), 39.9°(0.75), 42.8°(0.22), 45.2°(0.4), 48.7°(0.16), 51.8°(0.34), 54.2°(0.09), 59.2°(0.12), 64.0°(0.13), 65.9°(0.12), 71.1°(0.13), 73.2°(0.08), 74.9°(0.17), 79.9°... | JVASP-117779 | 4.01 4.01 7.46
90 90 90
Cd 0.500 0.500 0.430
Se 0.000 0.000 0.019
Br 0.000 0.000 0.516
Br 0.500 0.500 0.046 |
Below is a description of a material. | The chemical formula is: Mn2BePd.
The XRD pattern shows main peaks at: 29.2°(0.74), 42.7°(0.25), 43.7°(0.3), 44.6°(1.0), 55.8°(0.25), 62.8°(0.08), 64.2°(0.14), 72.8°(0.1), 73.5°(0.23), 80.9°(0.16), 82.9°(0.08), 88.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71974 | 4.75 4.75 4.75
139 139 58
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.000
Be 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Rb2GaAgI6.
The XRD pattern shows main peaks at: 15.3°(0.33), 26.6°(0.91), 30.8°(1.0), 44.2°(0.78), 52.3°(0.4), 54.8°(0.25), 64.3°(0.12), 73.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109247 | 8.20 8.20 8.20
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Ga 0.000 0.000 0.000
Ag 0.500 0.500 0.500
I 0.754 0.246 0.246
I 0.246 0.246 0.754
I 0.246 0.754 0.754
I 0.246 0.754 0.246
I 0.754 0.246 0.754
I 0.754 0.754 0.246 |
Below is a description of a material. | The chemical formula is: NbTeO.
The XRD pattern shows main peaks at: 11.1°(0.3), 22.2°(0.49), 29.6°(1.0), 31.7°(0.11), 33.6°(0.21), 37.4°(0.53), 42.4°(0.38), 45.4°(0.37), 48.4°(0.27), 55.2°(0.22), 57.7°(0.07), 61.5°(0.12), 66.2°(0.27), 69.8°(0.15), 72.0°(0.09), 74.2°(0.26), 79.7°(0.15), 89.3°(0.08).
Generate atomic str... | JVASP-135618 | 3.01 3.01 7.99
90 90 90
Nb 0.000 0.000 0.030
Te 0.000 0.000 0.636
O 0.000 0.000 0.248 |
Below is a description of a material. | The chemical formula is: CdAsPt5.
The XRD pattern shows main peaks at: 24.3°(0.07), 31.5°(0.12), 33.8°(0.2), 36.9°(0.13), 40.2°(1.0), 45.1°(0.41), 49.9°(0.09), 59.6°(0.13), 65.7°(0.14), 69.5°(0.13), 72.7°(0.13), 77.8°(0.06), 79.9°(0.28), 86.8°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-35477 | 4.02 4.02 7.31
90 90 90
Cd 0.500 0.500 0.000
As 0.000 0.000 0.500
Pt 0.000 0.500 0.285
Pt 0.000 0.500 0.715
Pt 0.500 0.000 0.285
Pt 0.500 0.000 0.715
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TlIO3.
The XRD pattern shows main peaks at: 29.8°(1.0), 36.7°(0.06), 42.6°(0.27), 52.9°(0.39), 61.9°(0.16), 70.1°(0.16), 78.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92387 | 4.24 4.24 4.24
90 90 90
Tl 0.000 0.000 0.000
I 0.500 0.500 0.500
O 0.500 -0.000 0.500
O 0.500 0.500 0.000
O -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HoNpRu2.
The XRD pattern shows main peaks at: 26.5°(0.11), 37.8°(1.0), 54.5°(0.18), 68.2°(0.37), 80.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104582 | 4.76 4.76 4.76
60 60 60
Ho 0.500 0.500 0.500
Np 0.000 0.000 0.000
Ru 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ErGe2Rh2.
The XRD pattern shows main peaks at: 30.6°(0.05), 34.0°(0.54), 34.9°(0.09), 35.4°(1.0), 43.9°(0.54), 47.1°(0.12), 49.5°(0.22), 56.6°(0.23), 57.2°(0.09), 62.8°(0.15), 63.8°(0.17), 73.6°(0.05), 75.1°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-56572 | 4.13 4.13 5.92
110 110 90
Er 0.000 0.000 0.000
Ge 0.379 0.379 0.759
Ge 0.621 0.621 0.241
Rh 0.250 0.750 0.500
Rh 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Ba2CuCN2O2.
The XRD pattern shows main peaks at: 10.4°(0.42), 20.9°(0.13), 22.5°(0.24), 30.9°(1.0), 32.1°(0.51), 38.6°(0.24), 39.2°(0.2), 42.6°(0.09), 46.0°(0.26), 48.7°(0.06), 51.8°(0.06), 54.3°(0.11), 56.5°(0.35), 62.0°(0.1), 64.5°(0.1), 67.1°(0.08), 73.6°(0.06), 75.7°(0.08), 76.3°(0.08), 80.... | JVASP-35239 | 3.95 3.95 8.50
90 90 90
Ba 0.500 0.500 0.724
Ba 0.500 0.500 0.276
Cu 0.000 0.000 0.500
C 0.000 0.000 0.000
N 0.000 0.000 0.854
N 0.000 0.000 0.146
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: Na2Co3O4.
The XRD pattern shows main peaks at: 16.5°(1.0), 23.2°(0.07), 23.6°(0.15), 30.0°(0.09), 35.8°(0.08), 37.1°(0.37), 37.7°(0.43), 39.4°(0.33), 42.1°(0.14), 43.6°(0.26), 46.0°(0.18), 48.4°(0.13), 53.9°(0.08), 60.3°(0.11), 64.4°(0.08), 66.4°(0.08), 71.1°(0.06).
Generate atomic structure de... | JVASP-140708 | 6.87 6.87 5.38
87 87 51
Na 0.763 -0.009 0.064
Na -0.009 0.763 0.564
Na 0.009 0.237 0.436
Na 0.237 0.009 -0.064
Co 0.495 0.505 0.250
Co 0.576 0.774 0.412
Co 0.505 0.495 0.750
Co 0.226 0.424 0.088
Co 0.424 0.226 0.588
Co 0.774 0.576 0.912
O 0.754 0.319 0.003
O 0.681 0.246 0.497
O 0.246 0.681 -0.003
O 0.123 0.373 0.765
O ... |
Below is a description of a material. | The chemical formula is: HfGa2Rh.
The XRD pattern shows main peaks at: 24.2°(0.06), 28.0°(0.13), 40.0°(1.0), 57.9°(0.17), 72.7°(0.34), 86.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-181502 | 4.51 4.51 4.51
60 60 60
Hf -0.000 0.000 0.000
Ga 0.250 0.250 0.250
Ga 0.750 0.750 0.750
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pa3Zn.
The XRD pattern shows main peaks at: 19.6°(0.12), 27.9°(0.1), 34.3°(1.0), 39.8°(0.49), 44.8°(0.06), 57.6°(0.34), 68.8°(0.39), 72.3°(0.12), 85.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125746 | 4.53 4.53 4.53
90 90 90
Pa 0.000 0.500 0.000
Pa 0.500 0.000 0.000
Pa 0.500 0.500 0.500
Zn 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: AsPdRh2.
The XRD pattern shows main peaks at: 41.0°(1.0), 59.4°(0.16), 74.8°(0.36), 89.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75668 | 4.40 4.40 4.40
60 60 60
As 0.500 0.500 0.500
Pd 0.250 0.250 0.250
Rh 0.000 0.000 0.000
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LaNiO3.
The XRD pattern shows main peaks at: 23.2°(0.2), 32.7°(0.96), 33.3°(1.0), 40.4°(0.2), 41.5°(0.07), 47.3°(0.56), 58.3°(0.22), 58.7°(0.4), 59.9°(0.18), 68.5°(0.15), 69.9°(0.17), 78.3°(0.16), 79.3°(0.16), 87.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-150512 | 5.38 5.38 5.38
61 61 61
La 0.750 0.750 0.750
La 0.250 0.250 0.250
Ni 0.000 0.000 0.000
Ni 0.500 0.500 0.500
O 0.197 0.303 0.750
O 0.303 0.750 0.197
O 0.750 0.197 0.303
O 0.803 0.697 0.250
O 0.697 0.250 0.803
O 0.250 0.803 0.697 |
Below is a description of a material. | The chemical formula is: TiAlF.
The XRD pattern shows main peaks at: 19.5°(0.32), 29.4°(0.13), 35.6°(1.0), 39.7°(0.27), 50.2°(0.05), 52.2°(0.32), 56.2°(0.08), 64.7°(0.16), 67.5°(0.28), 69.4°(0.12), 87.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186605 | 3.51 3.51 4.54
90 90 120
Ti 0.667 0.333 0.500
Al 0.000 0.000 0.000
F 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Fe6O5F7.
The XRD pattern shows main peaks at: 25.9°(1.0), 28.0°(0.94), 35.7°(0.66), 38.2°(0.09), 38.8°(0.07), 39.7°(0.1), 40.2°(0.08), 41.3°(0.09), 51.8°(0.16), 52.7°(0.18), 53.3°(0.2), 54.2°(0.13), 54.8°(0.3), 57.8°(0.14), 60.9°(0.05), 62.0°(0.15), 67.0°(0.11), 68.1°(0.11).
Generate atomic str... | JVASP-144884 | 4.65 5.62 7.58
84 87 86
Fe 0.520 0.830 0.645
Fe 0.517 0.514 0.005
Fe 0.475 0.179 0.356
Fe 0.003 0.338 0.675
Fe 0.993 0.670 0.311
Fe 0.989 0.975 0.011
O 0.300 0.471 0.226
O 0.292 0.115 0.583
O 0.713 0.865 0.428
O 0.697 0.550 0.768
O 0.791 0.692 0.100
F 0.799 0.361 0.439
F 0.781 0.047 0.780
F 0.711 0.198 0.114
F 0.286 0.... |
Below is a description of a material. | The chemical formula is: Li2CrCuO4.
The XRD pattern shows main peaks at: 19.3°(1.0), 32.0°(0.2), 36.7°(0.33), 37.3°(0.13), 38.8°(0.34), 45.9°(0.5), 47.3°(0.11), 53.2°(0.06), 59.8°(0.17), 61.0°(0.07), 61.4°(0.08), 63.4°(0.12), 66.2°(0.07), 67.7°(0.06), 79.4°(0.06).
Generate atomic structure description with lattice leng... | JVASP-44687 | 5.60 2.82 5.24
90 118 90
Li 0.000 0.000 0.000
Li 0.500 0.500 0.000
Cr -0.000 0.500 0.500
Cu 0.500 0.000 0.500
O 0.786 0.000 0.238
O 0.231 0.500 0.317
O 0.214 0.000 0.762
O 0.769 0.500 0.683 |
Below is a description of a material. | The chemical formula is: CrInCo2.
The XRD pattern shows main peaks at: 25.9°(0.11), 42.9°(1.0), 62.3°(0.14), 78.6°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7839 | 4.22 4.22 4.22
60 60 60
Cr 0.500 0.500 0.500
In 0.000 0.000 0.000
Co 0.250 0.250 0.250
Co 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MnCrP2.
The XRD pattern shows main peaks at: 22.4°(0.07), 30.1°(0.13), 33.0°(0.63), 33.6°(0.19), 34.6°(0.17), 37.1°(0.35), 45.2°(0.09), 45.8°(0.85), 47.8°(1.0), 49.1°(0.31), 53.9°(0.17), 55.3°(0.28), 60.6°(0.23), 70.7°(0.06), 73.0°(0.12), 79.1°(0.17), 80.3°(0.12), 81.6°(0.12), 83.3°(0.08), 85.4... | JVASP-104717 | 3.06 5.33 5.94
90 90 90
Mn 0.000 0.506 0.444
Mn 0.000 0.006 0.556
Cr 0.500 0.495 0.051
Cr 0.500 0.995 0.949
P 0.500 0.308 0.679
P 0.500 0.808 0.321
P 0.000 0.690 0.810
P 0.000 0.190 0.190 |
Below is a description of a material. | The chemical formula is: Ba2ZnO.
The XRD pattern shows main peaks at: 20.4°(0.05), 23.6°(0.3), 33.6°(1.0), 41.5°(0.09), 48.3°(0.16), 54.4°(0.13), 60.1°(0.36), 70.6°(0.1), 75.6°(0.06), 80.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185916 | 5.33 5.33 5.33
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Zn 0.000 0.000 0.000
O 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SmFe12.
The XRD pattern shows main peaks at: 23.0°(0.1), 30.7°(0.16), 31.8°(0.07), 36.9°(0.08), 40.6°(0.38), 42.3°(1.0), 43.2°(0.11), 56.0°(0.1), 59.9°(0.22), 61.9°(0.07), 75.0°(0.17), 77.1°(0.14), 82.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-37997 | 4.29 6.64 6.64
84 71 71
Sm 0.000 0.000 0.000
Fe 0.262 0.238 0.238
Fe 0.500 0.762 0.238
Fe 0.738 0.762 0.762
Fe 0.500 0.238 0.762
Fe 0.225 -0.000 0.550
Fe 0.775 0.450 0.000
Fe 0.775 0.000 0.450
Fe 0.225 0.550 -0.000
Fe 0.366 0.634 0.634
Fe 0.000 0.366 0.634
Fe 0.634 0.366 0.366
Fe 0.000 0.634 0.366 |
Below is a description of a material. | The chemical formula is: PrSF.
The XRD pattern shows main peaks at: 25.7°(1.0), 31.8°(0.51), 34.1°(0.17), 41.2°(0.59), 45.1°(0.36), 45.5°(0.31), 53.0°(0.4), 57.6°(0.06), 58.1°(0.07), 66.0°(0.22), 71.6°(0.09), 72.4°(0.11), 75.4°(0.09), 76.4°(0.05), 81.1°(0.15), 83.9°(0.05), 89.0°(0.1).
Generate atomic structure descript... | JVASP-2316 | 3.99 3.99 6.98
90 90 90
Pr 0.000 0.500 0.771
Pr 0.500 0.000 0.229
S 0.500 0.000 0.649
S 0.000 0.500 0.351
F 0.500 0.500 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiAgTe.
The XRD pattern shows main peaks at: 28.1°(1.0), 40.1°(0.82), 49.7°(0.27), 58.0°(0.13), 65.7°(0.35), 72.9°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78751 | 4.49 4.49 4.49
60 60 60
Li 0.250 0.250 0.250
Ag 0.500 0.500 0.500
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Er5InNi2.
The XRD pattern shows main peaks at: 27.2°(0.35), 32.0°(0.28), 33.5°(1.0), 36.3°(0.37), 37.6°(0.58), 54.2°(0.12), 56.2°(0.19), 59.0°(0.2), 75.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-147025 | 8.46 8.46 8.46
126 126 78
Er 0.000 0.000 0.000
Er 0.500 0.500 0.000
Er 0.794 0.294 0.818
Er 0.206 0.706 0.182
Er 0.476 0.976 0.182
Er 0.294 0.476 0.500
Er 0.024 0.206 0.500
Er 0.524 0.024 0.818
Er 0.706 0.524 0.500
Er 0.976 0.794 0.500
In 0.250 0.250 0.000
In 0.750 0.750 0.000
Ni 0.130 0.630 0.761
Ni 0.870 0.370 0.239
... |
Below is a description of a material. | The chemical formula is: Lu2C3N6.
The XRD pattern shows main peaks at: 17.6°(0.97), 20.4°(0.45), 28.9°(0.47), 34.1°(1.0), 35.7°(0.13), 45.4°(0.1), 46.7°(0.33), 51.3°(0.15), 54.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57006 | 6.15 6.15 6.15
60 60 60
Lu 0.172 0.172 0.172
Lu 0.828 0.828 0.828
C 0.710 0.290 0.000
C 0.290 -0.000 0.710
C 0.000 0.710 0.290
N 0.596 0.167 0.011
N 0.989 0.833 0.404
N 0.833 0.404 0.989
N 0.167 0.011 0.596
N 0.404 0.989 0.833
N 0.011 0.596 0.167 |
Below is a description of a material. | The chemical formula is: BClO2F4.
The XRD pattern shows main peaks at: 19.5°(0.09), 20.9°(0.26), 21.7°(0.98), 24.0°(1.0), 26.3°(0.34), 27.2°(0.85), 30.0°(0.12), 33.1°(0.27), 35.6°(0.17), 37.0°(0.53), 38.0°(0.55), 39.4°(0.19), 40.9°(0.11), 41.3°(0.09), 43.1°(0.13), 43.7°(0.75), 44.6°(0.23), 47.4°(0.09), 57.6°(0.08), 65.... | JVASP-33679 | 5.15 5.15 9.57
86 93 56
B 0.410 0.450 0.516
B 0.550 0.590 0.016
Cl 0.885 0.672 0.751
Cl 0.328 0.115 0.251
O 0.133 0.361 0.810
O 0.858 0.923 0.818
O 0.639 0.867 0.310
O 0.077 0.142 0.318
F 0.143 0.715 0.564
F 0.498 0.642 0.863
F 0.285 0.857 0.064
F 0.358 0.502 0.363
F 0.426 0.177 0.561
F 0.681 0.432 0.563
F 0.823 0.574 ... |
Below is a description of a material. | The chemical formula is: MgAg5.
The XRD pattern shows main peaks at: 21.2°(0.08), 23.8°(0.06), 35.5°(0.24), 37.7°(0.26), 40.3°(1.0), 52.7°(0.16), 63.7°(0.16), 69.8°(0.18), 76.4°(0.19), 78.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105204 | 5.60 5.60 5.60
53 53 53
Mg 0.500 0.500 0.500
Ag -0.000 0.668 0.332
Ag 0.668 0.332 -0.000
Ag 0.332 0.000 0.668
Ag 0.833 0.833 0.833
Ag 0.167 0.167 0.167 |
Below is a description of a material. | The chemical formula is: KCaSiHO4.
The XRD pattern shows main peaks at: 21.9°(0.07), 23.8°(0.13), 30.1°(1.0), 31.4°(0.36), 31.8°(0.44), 33.6°(0.05), 36.4°(0.07), 37.3°(0.05), 38.8°(0.11), 39.2°(0.13), 40.6°(0.13), 44.0°(0.24), 44.7°(0.2), 48.8°(0.24), 55.1°(0.11), 55.9°(0.23), 59.5°(0.17), 65.4°(0.06), 77.8°(0.06), 87.... | JVASP-36725 | 5.58 7.47 5.63
90 118 90
K 0.357 0.766 0.721
K 0.643 0.266 0.279
Ca 0.995 0.513 0.006
Ca 0.005 0.013 0.994
Si 0.679 0.755 0.372
Si 0.321 0.255 0.628
H 0.964 0.998 0.465
H 0.036 0.498 0.535
O 0.345 0.764 0.213
O 0.655 0.264 0.787
O 0.813 0.760 0.704
O 0.187 0.260 0.296
O 0.805 0.588 0.277
O 0.195 0.088 0.723
O 0.811 0.9... |
Below is a description of a material. | The chemical formula is: U2InRh2.
The XRD pattern shows main peaks at: 16.4°(0.05), 23.2°(0.05), 26.0°(0.15), 30.1°(0.06), 33.1°(0.07), 34.4°(0.21), 36.4°(1.0), 37.1°(0.39), 47.5°(0.05), 49.1°(0.06), 50.6°(0.1), 51.4°(0.11), 55.8°(0.16), 57.2°(0.09), 65.1°(0.15), 71.5°(0.16), 75.0°(0.06), 85.7°(0.06), 86.9°(0.09).
Gene... | JVASP-85738 | 3.56 7.66 7.66
89 90 89
U 0.500 0.835 0.335
U 0.500 0.665 0.835
U 0.500 0.335 0.165
U 0.500 0.165 0.665
In -0.000 0.000 0.000
In 0.000 0.500 0.500
Rh -0.000 0.638 0.138
Rh 0.000 0.362 0.862
Rh 0.000 0.862 0.638
Rh -0.000 0.138 0.362 |
Below is a description of a material. | The chemical formula is: ZrSnPt.
The XRD pattern shows main peaks at: 24.1°(0.5), 39.8°(1.0), 47.0°(0.28), 57.5°(0.17), 72.2°(0.35), 85.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40826 | 4.53 4.53 4.53
60 60 60
Zr 0.500 0.500 0.500
Sn 0.000 0.000 0.000
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BaSbAu.
The XRD pattern shows main peaks at: 19.0°(0.2), 23.3°(0.09), 28.6°(1.0), 37.2°(0.65), 38.6°(0.18), 42.1°(0.16), 47.6°(0.26), 54.7°(0.4), 61.9°(0.23), 67.1°(0.12), 79.3°(0.07), 80.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86773 | 4.83 4.83 9.34
90 90 120
Ba 0.000 0.000 0.000
Ba 0.000 0.000 0.500
Sb 0.667 0.333 0.250
Sb 0.333 0.667 0.750
Au 0.333 0.667 0.250
Au 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: K3VSO3.
The XRD pattern shows main peaks at: 15.5°(0.09), 18.3°(0.14), 19.1°(0.06), 20.6°(0.14), 27.1°(0.44), 27.8°(0.21), 28.1°(0.18), 30.4°(0.55), 31.5°(1.0), 34.9°(0.31), 41.5°(0.2), 41.9°(0.29), 44.3°(0.1), 50.3°(0.12), 52.0°(0.06), 54.7°(0.21), 55.9°(0.05), 56.9°(0.12), 63.2°(0.09), 65.8°(... | JVASP-132847 | 5.89 6.49 8.77
77 90 90
K 0.750 0.681 0.468
K 0.250 0.256 0.006
K 0.250 0.319 0.532
K 0.750 0.744 0.994
K 0.250 0.792 0.721
K 0.750 0.208 0.279
V 0.750 0.302 0.793
V 0.250 0.698 0.207
S 0.750 0.056 0.649
S 0.250 0.944 0.351
O 0.250 0.817 0.013
O 0.750 0.183 0.987
O 0.986 0.457 0.746
O 0.014 0.543 0.254
O 0.514 0.457 0.... |
Below is a description of a material. | The chemical formula is: BaAgO.
The XRD pattern shows main peaks at: 23.0°(1.0), 25.6°(0.54), 26.5°(0.58), 29.1°(0.39), 34.6°(0.5), 35.4°(0.5), 37.4°(0.41), 43.9°(0.17), 47.0°(0.14), 48.9°(0.11), 50.1°(0.2), 52.5°(0.08), 54.3°(0.14), 54.7°(0.3), 56.2°(0.27), 58.0°(0.1), 60.0°(0.1), 65.4°(0.06), 66.3°(0.09), 79.7°(0.08)... | JVASP-114625 | 6.15 7.27 3.87
90 90 145
Ba 0.089 0.334 0.000
Ag 0.137 -0.157 0.000
O 0.774 0.823 0.000 |
Below is a description of a material. | The chemical formula is: PbS.
The XRD pattern shows main peaks at: 25.8°(0.89), 29.8°(1.0), 42.7°(0.77), 50.5°(0.34), 52.9°(0.26), 62.0°(0.08), 68.2°(0.07), 70.3°(0.22), 78.2°(0.16), 83.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150249 | 4.24 4.24 11.98
90 90 90
Pb 0.750 0.750 0.125
Pb 0.250 0.250 0.375
Pb 0.250 0.250 0.875
Pb 0.750 0.750 0.625
S 0.750 0.750 0.375
S 0.250 0.250 0.125
S 0.250 0.250 0.625
S 0.750 0.750 0.875 |
Below is a description of a material. | The chemical formula is: CaO.
The XRD pattern shows main peaks at: 32.2°(0.6), 37.4°(1.0), 53.8°(0.66), 64.3°(0.16), 67.4°(0.26), 79.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91565 | 3.40 3.40 9.68
90 90 89
Ca 0.750 0.250 0.375
Ca 0.250 0.750 0.625
Ca 0.750 0.250 0.875
Ca 0.250 0.750 0.125
O 0.750 0.250 0.125
O 0.250 0.750 0.875
O 0.750 0.250 0.625
O 0.250 0.750 0.375 |
Below is a description of a material. | The chemical formula is: Li2Fe3CuO8.
The XRD pattern shows main peaks at: 18.2°(0.38), 19.2°(1.0), 35.8°(0.18), 36.9°(0.39), 37.3°(0.11), 38.9°(0.14), 44.7°(0.7), 58.2°(0.08), 63.7°(0.24), 66.3°(0.22), 83.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-44504 | 5.85 5.85 5.85
57 57 57
Li 0.124 0.124 0.124
Li 0.876 0.876 0.876
Fe 0.000 0.500 0.500
Fe 0.500 0.000 0.500
Fe 0.500 0.500 -0.000
Cu 0.500 0.500 0.500
O 0.263 0.263 0.263
O 0.252 0.252 0.712
O 0.252 0.712 0.252
O 0.712 0.252 0.252
O 0.288 0.748 0.748
O 0.748 0.288 0.748
O 0.748 0.748 0.288
O 0.737 0.737 0.737 |
Below is a description of a material. | The chemical formula is: Ti3Mo2Pd.
The XRD pattern shows main peaks at: 28.1°(0.17), 40.5°(1.0), 50.0°(0.08), 58.2°(0.16), 73.3°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189841 | 3.17 3.17 9.40
90 90 90
Ti 0.000 0.000 -0.000
Ti -0.000 0.000 0.674
Ti 0.000 -0.000 0.326
Mo 0.500 0.500 0.831
Mo 0.500 0.500 0.169
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AgH2.
The XRD pattern shows main peaks at: 13.9°(1.0), 27.9°(0.24), 33.1°(0.15), 33.5°(0.13), 36.1°(0.21), 36.4°(0.21), 42.4°(0.06), 44.1°(0.14), 47.8°(0.1), 50.0°(0.17), 54.9°(0.07), 56.3°(0.11), 65.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-138307 | 6.39 2.70 2.68
90 90 90
Ag 0.466 0.000 0.000
H -0.033 0.000 0.861
H -0.033 0.000 0.139 |
Below is a description of a material. | The chemical formula is: LiBiB.
The XRD pattern shows main peaks at: 12.3°(1.0), 24.8°(0.23), 27.3°(0.44), 30.1°(0.57), 37.3°(0.31), 39.0°(0.17), 41.1°(0.25), 46.8°(0.18), 47.1°(0.2), 55.3°(0.12), 56.4°(0.06), 58.0°(0.09), 58.8°(0.08), 62.5°(0.08), 63.8°(0.08), 65.2°(0.13), 66.0°(0.06), 69.5°(0.11), 76.5°(0.09), 85.9°(... | JVASP-115466 | 3.26 3.26 7.17
90 90 90
Li 0.000 0.000 0.020
Bi 0.000 0.000 0.637
B 0.000 0.000 0.313 |
Below is a description of a material. | The chemical formula is: MgZrTi2H.
The XRD pattern shows main peaks at: 20.9°(0.23), 29.5°(0.18), 36.4°(1.0), 41.7°(0.17), 42.6°(0.34), 52.7°(0.07), 61.2°(0.22), 61.9°(0.1), 72.7°(0.12), 74.0°(0.23), 77.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187585 | 4.24 4.24 4.33
90 90 90
H -0.000 0.000 0.000
Mg 0.500 0.500 0.500
Zr -0.000 0.000 0.500
Ti 0.000 0.500 -0.000
Ti 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AlCl3.
The XRD pattern shows main peaks at: 12.4°(0.18), 28.5°(0.09), 31.2°(0.69), 38.2°(1.0), 50.4°(0.39), 59.7°(0.2), 60.5°(0.08), 65.0°(0.18), 81.8°(0.09), 82.5°(0.07), 86.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13782 | 3.62 3.62 7.13
90 90 120
Al 0.000 0.000 0.500
Cl 0.000 0.000 0.000
Cl 0.333 0.667 0.677
Cl 0.667 0.333 0.323 |
Below is a description of a material. | The chemical formula is: RbVCl3.
The XRD pattern shows main peaks at: 14.1°(0.14), 22.2°(0.2), 24.6°(0.42), 28.5°(0.06), 33.3°(1.0), 34.5°(0.11), 37.4°(0.16), 41.9°(0.07), 43.3°(0.09), 45.3°(0.32), 50.4°(0.32), 52.2°(0.12), 61.0°(0.16), 61.8°(0.15), 62.5°(0.11), 70.0°(0.08), 83.0°(0.07).
Generate atomic structure descr... | JVASP-23900 | 7.24 7.24 5.21
90 90 119
Rb 0.667 0.333 0.750
Rb 0.333 0.667 0.250
V 0.000 0.000 0.500
V 0.000 0.000 0.000
Cl 0.834 0.166 0.250
Cl 0.166 0.332 0.750
Cl 0.668 0.834 0.750
Cl 0.332 0.166 0.250
Cl 0.166 0.834 0.750
Cl 0.834 0.668 0.250 |
Below is a description of a material. | The chemical formula is: Sc2PbS.
The XRD pattern shows main peaks at: 11.9°(0.58), 23.9°(0.21), 28.6°(0.41), 29.4°(0.3), 32.6°(1.0), 34.8°(0.42), 36.2°(0.16), 43.2°(0.36), 48.9°(0.07), 50.0°(0.44), 61.0°(0.16), 61.4°(0.11), 63.3°(0.19), 68.2°(0.09).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-188792 | 3.65 3.65 7.74
103 90 119
Sc 0.269 0.038 0.307
Sc 0.731 0.962 0.693
Pb 0.500 0.500 0.000
S -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Pm2SnAu.
The XRD pattern shows main peaks at: 33.6°(1.0), 48.3°(0.2), 60.2°(0.38), 70.7°(0.13), 80.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41580 | 5.33 5.33 5.33
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Sn 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Fe10CoN8.
The XRD pattern shows main peaks at: 29.1°(0.15), 32.2°(0.74), 34.1°(0.36), 36.2°(0.43), 37.1°(0.54), 37.9°(0.16), 38.9°(1.0), 42.2°(0.83), 42.8°(0.24), 44.7°(0.59), 48.1°(1.0), 49.1°(0.34), 54.4°(0.38), 56.6°(0.12), 60.3°(0.12), 67.1°(0.15), 71.2°(0.18), 75.6°(0.19), 81.8°(0.13), 86.... | JVASP-145853 | 8.63 3.78 5.95
90 70 77
Fe 0.356 0.822 0.791
Fe 0.599 0.201 0.806
Fe 0.157 0.421 0.017
Fe 0.843 0.579 0.983
Fe 0.309 0.346 0.502
Fe 0.401 0.799 0.194
Fe 0.965 0.017 0.257
Fe 0.035 0.983 0.743
Fe 0.644 0.178 0.209
Fe 0.691 0.654 0.498
Co 0.000 0.500 0.500
N 0.075 0.462 0.751
N 0.206 0.897 0.096
N 0.794 0.103 0.904
N 0.2... |
Below is a description of a material. | The chemical formula is: Yb2CdPb.
The XRD pattern shows main peaks at: 33.5°(1.0), 48.0°(0.18), 59.8°(0.41), 70.3°(0.13), 80.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39651 | 5.36 5.36 5.36
60 60 60
Yb 0.500 0.500 0.500
Yb 0.000 0.000 0.000
Cd 0.250 0.250 0.250
Pb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BeRuBr4.
The XRD pattern shows main peaks at: 17.6°(0.35), 20.4°(0.15), 29.0°(0.17), 34.2°(1.0), 35.7°(0.61), 41.5°(0.12), 45.4°(0.1), 46.6°(0.06), 51.4°(0.06), 54.8°(0.37), 60.1°(0.32), 63.2°(0.07), 71.0°(0.13), 71.9°(0.22), 85.7°(0.24).
Generate atomic structure description with lattice lengt... | JVASP-65034 | 6.16 6.16 6.16
60 60 60
Be 0.000 0.000 0.000
Ru 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: LiSnO.
The XRD pattern shows main peaks at: 14.1°(1.0), 26.3°(0.82), 28.5°(0.19), 30.0°(0.65), 37.5°(0.32), 39.1°(0.34), 40.3°(0.32), 43.3°(0.09), 47.8°(0.18), 51.3°(0.21), 54.1°(0.11), 56.2°(0.13), 58.6°(0.15), 61.1°(0.15), 62.3°(0.09), 63.1°(0.18), 65.6°(0.1), 68.8°(0.14), 71.7°(0.09), 77.8°(... | JVASP-135330 | 3.39 3.39 6.27
90 90 90
Li 0.000 0.000 0.003
Sn 0.000 0.000 0.571
O 0.000 0.000 0.268 |
Below is a description of a material. | The chemical formula is: U2Al3Si3.
The XRD pattern shows main peaks at: 20.8°(0.45), 21.3°(0.39), 22.2°(0.35), 30.0°(0.35), 30.6°(0.33), 31.0°(0.32), 37.6°(1.0), 42.3°(0.18), 43.5°(0.17), 45.2°(0.15), 47.8°(0.1), 53.3°(0.16), 54.1°(0.15), 55.2°(0.13), 62.3°(0.11), 63.6°(0.11), 64.5°(0.1), 74.2°(0.14), 75.9°(0.14), 80.2... | JVASP-176376 | 4.27 4.16 8.02
90 90 90
U 0.000 0.000 0.990
U -0.000 -0.000 0.510
Al 0.500 0.500 1.000
Al 0.500 0.500 0.500
Al 0.500 0.000 0.250
Si 0.500 0.000 0.750
Si -0.000 0.500 0.250
Si -0.000 0.500 0.750 |
Below is a description of a material. | The chemical formula is: Pm3Lu.
The XRD pattern shows main peaks at: 28.8°(0.1), 29.8°(0.43), 30.9°(0.34), 32.7°(1.0), 37.2°(0.24), 42.8°(0.07), 49.1°(0.1), 51.0°(0.26), 60.2°(0.05), 60.8°(0.32), 61.9°(0.18), 84.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129418 | 3.58 3.58 11.56
90 90 120
Pm 0.667 0.333 0.755
Pm 0.000 0.000 0.500
Pm 0.333 0.667 0.245
Lu 0.000 0.000 0.000 |
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