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: SrSiPd.
The XRD pattern shows main peaks at: 19.2°(0.05), 23.5°(0.15), 30.5°(1.0), 33.5°(0.86), 41.3°(0.13), 43.7°(0.06), 45.9°(0.15), 50.2°(0.05), 52.2°(0.5), 56.2°(0.12), 58.0°(0.13), 61.7°(0.13), 65.3°(0.15), 73.7°(0.07), 75.4°(0.08), 78.6°(0.17), 83.5°(0.05).
Generate atomic structure descr... | JVASP-87119 | 6.55 6.55 6.55
90 90 90
Sr 0.629 0.371 0.871
Sr 0.371 0.871 0.629
Sr 0.129 0.129 0.129
Sr 0.871 0.629 0.371
Si 0.165 0.335 0.665
Si 0.665 0.165 0.335
Si 0.335 0.665 0.165
Si 0.835 0.835 0.835
Pd 0.588 0.912 0.088
Pd 0.088 0.588 0.912
Pd 0.412 0.412 0.412
Pd 0.912 0.088 0.588 |
Below is a description of a material. | The chemical formula is: EuS.
The XRD pattern shows main peaks at: 25.8°(0.46), 36.9°(1.0), 45.6°(0.16), 53.1°(0.16), 60.0°(0.21), 66.4°(0.33), 78.5°(0.11), 84.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85133 | 3.45 3.45 3.45
90 90 90
Eu 0.000 0.000 0.000
S 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PrIn5Co.
The XRD pattern shows main peaks at: 29.7°(0.53), 35.1°(0.22), 36.1°(1.0), 38.9°(0.58), 45.0°(0.06), 53.4°(0.27), 55.6°(0.06), 56.2°(0.19), 63.0°(0.05), 64.8°(0.1), 67.5°(0.15), 68.0°(0.13), 68.6°(0.27), 83.5°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-94928 | 4.63 4.63 7.66
90 90 90
Pr 0.000 0.000 0.000
In 0.500 0.500 0.000
In 0.500 0.000 0.689
In 0.000 0.500 0.689
In 0.500 0.000 0.311
In 0.000 0.500 0.311
Co 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: HoSn3.
The XRD pattern shows main peaks at: 28.8°(0.21), 31.0°(0.68), 32.4°(0.41), 35.1°(1.0), 40.6°(0.35), 40.9°(0.32), 52.9°(0.23), 59.0°(0.2), 68.0°(0.08), 68.4°(0.08), 69.0°(0.19), 70.4°(0.14), 70.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-90878 | 4.41 4.44 11.27
101 90 90
Ho 0.500 0.482 0.964
Ho 0.000 0.209 0.419
Sn 0.500 0.098 0.196
Sn 0.500 0.735 0.469
Sn 0.500 0.869 0.738
Sn 0.000 0.976 0.952
Sn 0.000 0.358 0.716
Sn 0.000 0.598 0.196 |
Below is a description of a material. | The chemical formula is: Ge7As.
The XRD pattern shows main peaks at: 26.5°(1.0), 44.0°(0.77), 52.1°(0.46), 64.0°(0.12), 70.5°(0.18), 80.9°(0.25), 87.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127382 | 5.82 5.82 5.82
90 90 90
Ge 0.754 0.754 0.754
Ge 0.500 0.000 0.000
Ge 0.754 0.246 0.246
Ge 0.000 0.500 0.000
Ge 0.246 0.754 0.246
Ge 0.000 0.000 0.500
Ge 0.246 0.246 0.754
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Bi2S3.
The XRD pattern shows main peaks at: 15.6°(0.16), 22.4°(0.35), 23.5°(0.2), 24.8°(1.0), 25.2°(0.51), 27.2°(0.18), 28.4°(0.79), 31.6°(0.47), 32.8°(0.21), 33.8°(0.21), 35.5°(0.25), 36.3°(0.11), 38.8°(0.14), 39.7°(0.27), 45.1°(0.24), 46.3°(0.41), 47.3°(0.12), 48.8°(0.11), 52.3°(0.24), 58.6°(... | JVASP-155078 | 4.02 11.14 11.37
90 90 90
Bi 0.750 0.326 0.009
Bi 0.250 0.826 0.491
Bi 0.250 0.674 0.991
Bi 0.750 0.174 0.509
Bi 0.750 0.533 0.337
Bi 0.250 0.033 0.163
Bi 0.250 0.467 0.663
Bi 0.750 0.967 0.837
S 0.250 0.694 0.284
S 0.750 0.194 0.216
S 0.750 0.557 0.878
S 0.250 0.057 0.622
S 0.250 0.443 0.122
S 0.250 0.370 0.450
S 0.75... |
Below is a description of a material. | The chemical formula is: Mg2RuN3.
The XRD pattern shows main peaks at: 17.5°(0.75), 24.6°(0.88), 30.6°(0.54), 34.7°(0.45), 35.2°(1.0), 39.1°(0.13), 39.6°(0.13), 46.9°(0.27), 50.7°(0.1), 54.3°(0.3), 56.4°(0.08), 62.5°(0.32), 66.1°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-144984 | 5.86 5.84 5.17
90 90 119
Mg 0.328 0.337 0.481
Mg 0.672 0.008 0.481
Mg 0.672 0.663 0.981
Mg 0.328 0.992 0.981
Ru 0.000 0.682 0.487
Ru -0.000 0.318 0.987
N 0.313 0.332 0.890
N 0.687 0.019 0.890
N 0.687 0.668 0.390
N 0.313 0.981 0.390
N -0.000 0.630 0.858
N 0.000 0.370 0.358 |
Below is a description of a material. | The chemical formula is: BaCrBi.
The XRD pattern shows main peaks at: 19.6°(0.64), 22.6°(0.13), 32.2°(1.0), 38.0°(0.38), 46.2°(0.18), 50.7°(0.17), 52.1°(0.06), 57.5°(0.43), 61.4°(0.12), 67.5°(0.13), 71.0°(0.13), 76.8°(0.18), 89.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-66434 | 5.55 5.55 5.55
60 60 60
Ba 0.750 0.750 0.750
Cr 0.500 0.500 0.500
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: C3N2.
The XRD pattern shows main peaks at: 24.8°(0.82), 30.5°(0.41), 35.3°(1.0), 39.7°(0.37), 43.6°(0.27), 50.8°(0.33), 54.2°(0.32), 60.4°(0.06), 63.4°(0.1), 69.2°(0.07), 77.5°(0.06), 80.2°(0.27), 85.5°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-116940 | 5.08 5.08 5.08
90 90 90
C 0.505 0.844 0.156
C 0.156 0.495 0.156
C 0.156 0.156 0.495
C 0.156 0.505 0.844
C 0.156 0.844 0.505
C 0.495 0.844 0.844
C 0.495 0.156 0.156
C 0.844 0.156 0.505
C 0.505 0.156 0.844
C 0.844 0.505 0.156
C 0.844 0.844 0.495
C 0.844 0.495 0.844
N 0.725 0.275 0.275
N 0.759 0.759 0.241
N 0.759 0.241 0.... |
Below is a description of a material. | The chemical formula is: Cu2PbSe3.
The XRD pattern shows main peaks at: 14.0°(0.08), 16.9°(0.13), 22.7°(0.1), 26.2°(0.85), 26.6°(1.0), 28.3°(0.13), 30.2°(0.26), 34.2°(0.14), 39.2°(0.16), 43.0°(0.2), 44.0°(0.98), 51.3°(0.29), 52.0°(0.26), 63.3°(0.12), 70.6°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-162960 | 7.23 7.23 7.23
146 58 132
Cu 0.583 0.256 0.327
Cu 0.929 0.256 0.673
Pb 0.235 0.236 -0.000
Se 0.160 0.971 0.188
Se 0.569 0.069 0.500
Se 0.783 0.972 0.812 |
Below is a description of a material. | The chemical formula is: DyCl3.
The XRD pattern shows main peaks at: 15.0°(1.0), 20.9°(0.35), 25.9°(0.34), 26.8°(0.54), 32.8°(0.09), 34.5°(0.87), 35.2°(0.12), 37.1°(0.25), 40.5°(0.51), 42.6°(0.09), 45.5°(0.09), 46.2°(0.3), 46.6°(0.24), 47.9°(0.14), 50.5°(0.09), 51.2°(0.16), 62.1°(0.11), 64.7°(0.2), 72.8°(0.1), 85.6°(0.... | JVASP-3987 | 3.80 6.20 8.48
90 90 107
Dy 0.243 0.485 0.750
Dy 0.757 0.515 0.250
Cl 0.585 0.169 0.750
Cl 0.415 0.831 0.250
Cl 0.147 0.295 0.434
Cl 0.853 0.705 0.566
Cl 0.853 0.705 0.934
Cl 0.147 0.295 0.066 |
Below is a description of a material. | The chemical formula is: ZrPaTc2.
The XRD pattern shows main peaks at: 22.9°(0.15), 26.5°(0.06), 37.8°(1.0), 54.5°(0.16), 68.3°(0.34), 80.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169784 | 4.76 4.76 4.76
59 60 59
Zr 0.750 0.750 0.750
Pa 0.250 0.250 0.250
Tc 0.500 0.500 0.500
Tc -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Rb2AuO2.
The XRD pattern shows main peaks at: 12.8°(0.21), 22.5°(0.24), 29.0°(1.0), 30.6°(0.6), 33.3°(0.1), 39.1°(0.18), 43.9°(0.23), 50.4°(0.27), 53.5°(0.37), 60.2°(0.19), 63.8°(0.08), 64.6°(0.1), 71.6°(0.08), 72.4°(0.1), 77.4°(0.07), 85.5°(0.12), 87.9°(0.1).
Generate atomic structure descript... | JVASP-185788 | 7.52 7.52 7.52
148 148 45
Rb 0.656 0.656 -0.000
Rb 0.344 0.344 0.000
Au 0.000 0.000 -0.000
O 0.860 0.860 0.000
O 0.140 0.140 -0.000 |
Below is a description of a material. | The chemical formula is: MnCoSn4.
The XRD pattern shows main peaks at: 32.9°(0.14), 34.7°(1.0), 38.3°(0.16), 38.8°(0.07), 43.2°(0.24), 43.6°(0.26), 59.9°(0.22), 60.6°(0.18), 66.5°(0.08), 69.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99957 | 5.38 5.38 5.38
104 104 119
Mn 0.500 0.500 -0.000
Co 0.000 0.000 0.000
Sn 0.914 0.414 0.829
Sn 0.586 0.086 0.171
Sn 0.086 0.914 0.500
Sn 0.414 0.586 0.500 |
Below is a description of a material. | The chemical formula is: InN.
The XRD pattern shows main peaks at: 28.9°(0.35), 30.9°(0.33), 32.8°(1.0), 42.8°(0.2), 51.2°(0.25), 56.2°(0.29), 61.0°(0.27), 62.1°(0.16), 79.4°(0.1), 84.6°(0.13), 86.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1180 | 3.57 3.57 5.78
90 90 120
In 0.667 0.333 0.499
In 0.333 0.667 0.999
N 0.667 0.333 0.121
N 0.333 0.667 0.621 |
Below is a description of a material. | The chemical formula is: BeRe2Hg.
The XRD pattern shows main peaks at: 13.0°(0.18), 26.2°(0.16), 29.9°(0.14), 32.8°(0.35), 40.2°(1.0), 42.9°(0.45), 50.9°(0.1), 53.9°(0.06), 59.9°(0.12), 62.2°(0.17), 62.9°(0.1), 71.2°(0.1), 72.1°(0.08), 76.7°(0.31), 86.9°(0.06).
Generate atomic structure description with lattice lengths... | JVASP-70926 | 2.98 2.98 6.80
90 90 90
Be 0.000 0.000 0.457
Re 0.000 0.000 0.049
Re 0.500 0.500 0.272
Hg 0.500 0.500 0.722 |
Below is a description of a material. | The chemical formula is: ZnAsO2.
The XRD pattern shows main peaks at: 15.6°(0.3), 31.5°(0.38), 32.8°(1.0), 41.0°(0.62), 44.1°(0.07), 48.1°(0.07), 52.6°(0.35), 57.0°(0.23), 59.4°(0.18), 65.0°(0.1), 68.8°(0.16), 69.5°(0.23), 73.4°(0.06), 79.8°(0.05), 86.9°(0.14), 88.9°(0.06).
Generate atomic structure description with la... | JVASP-135675 | 3.11 3.11 5.67
90 90 90
Zn 0.000 0.000 0.236
As 0.500 0.500 0.800
O 0.000 0.000 0.837
O 0.500 0.500 0.127 |
Below is a description of a material. | The chemical formula is: Al2Ni.
The XRD pattern shows main peaks at: 21.6°(1.0), 40.0°(0.38), 44.1°(0.45), 45.9°(0.81), 49.6°(0.2), 61.0°(0.19), 64.1°(0.15), 69.8°(0.06), 82.4°(0.24), 86.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184353 | 4.91 2.69 4.11
90 90 56
Al 0.109 0.585 0.324
Al 0.609 0.085 0.824
Ni 0.109 0.085 0.824 |
Below is a description of a material. | The chemical formula is: LaNiAsO.
The XRD pattern shows main peaks at: 24.1°(0.08), 30.7°(1.0), 32.6°(0.13), 37.8°(0.19), 43.9°(0.34), 49.6°(0.05), 54.6°(0.46), 63.8°(0.11), 72.5°(0.1), 88.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149756 | 4.13 4.13 8.21
90 90 90
La 0.250 0.250 0.147
La 0.750 0.750 0.853
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500
As 0.250 0.250 0.640
As 0.750 0.750 0.360
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: USi2Cu2.
The XRD pattern shows main peaks at: 17.5°(0.09), 24.1°(0.74), 31.9°(0.12), 34.9°(0.6), 35.5°(0.2), 36.6°(1.0), 45.8°(0.34), 50.6°(0.23), 58.8°(0.27), 59.2°(0.19), 64.5°(0.17), 66.7°(0.12), 78.6°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-8529 | 3.97 3.97 5.79
110 110 90
U 0.000 0.000 0.000
Si 0.617 0.617 0.234
Si 0.383 0.383 0.766
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: K2HgSbF6.
The XRD pattern shows main peaks at: 18.8°(0.62), 26.8°(1.0), 38.2°(0.38), 42.9°(0.3), 47.3°(0.42), 55.2°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109236 | 6.66 6.66 6.66
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Hg 0.500 0.500 0.500
Sb 0.000 0.000 0.000
F 0.773 0.227 0.227
F 0.227 0.227 0.773
F 0.227 0.773 0.773
F 0.227 0.773 0.227
F 0.773 0.227 0.773
F 0.773 0.773 0.227 |
Below is a description of a material. | The chemical formula is: CaSc2Be.
The XRD pattern shows main peaks at: 10.6°(0.11), 21.2°(0.06), 26.9°(0.1), 29.0°(0.6), 32.1°(0.29), 34.5°(1.0), 38.5°(0.54), 42.4°(0.14), 50.9°(0.28), 55.5°(0.17), 59.2°(0.05), 62.1°(0.15), 63.9°(0.1), 65.6°(0.12), 67.1°(0.25), 69.0°(0.07), 82.4°(0.05), 88.1°(0.11).
Generate atomic str... | JVASP-67923 | 3.31 3.31 8.37
90 90 90
Ca 0.500 0.500 0.303
Sc 0.000 0.000 0.961
Sc 0.500 0.500 0.697
Be 0.000 0.000 0.538 |
Below is a description of a material. | The chemical formula is: BaMgCl2.
The XRD pattern shows main peaks at: 13.5°(0.42), 21.4°(0.5), 25.4°(0.72), 27.1°(0.27), 30.5°(0.98), 33.5°(0.19), 34.8°(1.0), 41.2°(0.35), 43.6°(0.33), 46.9°(0.16), 49.1°(0.11), 51.2°(0.21), 52.1°(0.25), 57.0°(0.46), 60.6°(0.14), 63.4°(0.11), 66.0°(0.11), 72.0°(0.15), 73.6°(0.11), 77.6... | JVASP-65647 | 4.15 4.15 6.57
90 90 90
Ba 0.500 0.500 0.794
Mg 0.000 0.000 0.399
Cl 0.000 0.000 0.011
Cl 0.500 0.500 0.297 |
Below is a description of a material. | The chemical formula is: ThInAu2.
The XRD pattern shows main peaks at: 35.3°(1.0), 50.9°(0.18), 63.5°(0.38), 74.8°(0.13), 85.5°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-54595 | 5.08 5.08 5.08
60 60 59
Th 0.500 0.500 0.500
In 0.000 0.000 0.000
Au 0.250 0.250 0.250
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li4MnF7.
The XRD pattern shows main peaks at: 18.5°(1.0), 21.4°(0.72), 30.4°(0.09), 35.8°(0.42), 37.5°(0.24), 43.6°(0.46), 49.0°(0.24), 57.6°(0.15), 63.3°(0.38).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-117441 | 5.88 5.88 5.88
60 60 60
Li 0.879 0.374 0.374
Li 0.374 0.879 0.374
Li 0.374 0.374 0.374
Li 0.374 0.374 0.879
Mn 0.000 0.000 0.000
F 0.250 0.250 0.250
F 0.764 0.764 0.236
F 0.236 0.764 0.764
F 0.764 0.236 0.764
F 0.764 0.236 0.236
F 0.236 0.764 0.236
F 0.236 0.236 0.764 |
Below is a description of a material. | The chemical formula is: SKr.
The XRD pattern shows main peaks at: 12.6°(0.41), 25.4°(0.51), 32.9°(0.31), 35.4°(1.0), 42.0°(0.28), 51.6°(0.31), 52.2°(0.06), 58.8°(0.13), 63.1°(0.09), 65.1°(0.18), 70.5°(0.13), 76.5°(0.09), 81.9°(0.08), 82.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-128517 | 3.14 3.14 7.01
90 90 120
S 0.333 0.667 0.250
Kr 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: ScFeGe.
The XRD pattern shows main peaks at: 15.8°(0.1), 22.9°(0.11), 27.6°(0.27), 36.1°(0.62), 39.7°(1.0), 42.7°(0.41), 46.7°(0.35), 49.0°(0.62), 55.1°(0.09), 57.0°(0.09), 64.6°(0.12), 65.1°(0.2), 69.8°(0.15), 78.3°(0.25), 81.9°(0.11), 82.8°(0.1), 88.4°(0.1).
Generate atomic structure descript... | JVASP-150216 | 6.47 6.47 3.89
90 90 119
Sc 0.000 0.421 0.500
Sc 0.421 0.000 0.500
Sc 0.579 0.579 0.500
Fe 0.000 0.771 0.000
Fe 0.771 0.000 0.000
Fe 0.229 0.229 0.000
Ge 0.000 0.000 0.500
Ge 0.333 0.667 0.000
Ge 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Mn2BeGe.
The XRD pattern shows main peaks at: 23.1°(0.17), 28.1°(0.26), 36.4°(0.11), 43.6°(1.0), 47.2°(0.2), 52.5°(0.27), 58.1°(0.05), 60.6°(0.05), 73.2°(0.19), 77.4°(0.08), 85.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67955 | 4.57 4.57 4.57
135 135 65
Mn 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Be 0.500 0.500 0.000
Ge 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: SrCdSn2.
The XRD pattern shows main peaks at: 12.1°(0.12), 31.6°(0.68), 33.1°(1.0), 43.4°(0.1), 45.3°(0.25), 49.7°(0.05), 57.3°(0.42), 60.1°(0.12), 64.5°(0.06), 66.0°(0.08), 69.5°(0.08), 75.0°(0.11), 75.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-181371 | 4.00 4.00 7.33
90 90 90
Sr 0.500 0.500 0.632
Cd -0.000 0.000 0.910
Sn -0.000 -0.000 0.334
Sn 0.500 0.500 0.135 |
Below is a description of a material. | The chemical formula is: ThBiPd.
The XRD pattern shows main peaks at: 22.3°(0.1), 25.8°(0.43), 36.8°(1.0), 45.5°(0.13), 53.0°(0.18), 59.9°(0.17), 66.3°(0.35), 78.3°(0.11), 84.0°(0.08), 89.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156360 | 4.89 4.89 4.89
60 60 60
Th 0.750 0.750 0.750
Bi 0.250 0.250 0.250
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2VF4.
The XRD pattern shows main peaks at: 20.3°(0.22), 23.9°(1.0), 30.8°(0.16), 37.9°(0.18), 41.4°(0.36), 44.1°(0.65), 50.8°(0.25), 57.3°(0.11), 62.1°(0.34), 64.1°(0.15), 79.2°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-46869 | 4.11 5.24 5.81
90 45 66
Li 0.002 0.500 0.749
Li 0.002 0.500 0.249
V 0.002 -0.000 0.999
F 0.477 0.525 0.761
F 0.527 0.475 0.236
F 0.502 -0.000 0.499
F 0.502 0.000 0.999 |
Below is a description of a material. | The chemical formula is: VTeF.
The XRD pattern shows main peaks at: 22.3°(0.92), 28.5°(0.48), 36.5°(1.0), 39.2°(1.0), 45.6°(0.15), 49.2°(0.61), 54.6°(0.29), 58.9°(0.09), 61.7°(0.12), 63.8°(0.12), 69.3°(0.28), 71.1°(0.14), 73.1°(0.27), 78.2°(0.15), 84.3°(0.1).
Generate atomic structure description with lattice lengths, ... | JVASP-181466 | 4.60 4.60 3.14
90 90 120
V 0.667 0.333 0.500
Te 0.333 0.667 0.500
F -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: YTmRh2.
The XRD pattern shows main peaks at: 22.7°(0.06), 37.5°(1.0), 54.0°(0.17), 67.6°(0.36), 79.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37597 | 4.80 4.80 4.80
60 60 60
Y 0.750 0.750 0.750
Tm 0.250 0.250 0.250
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: BBrN.
The XRD pattern shows main peaks at: 25.8°(1.0), 27.0°(0.7), 37.7°(0.77), 45.6°(0.4), 53.1°(0.15), 53.8°(0.48), 55.7°(0.08), 60.6°(0.19), 62.4°(0.17), 72.5°(0.12), 74.7°(0.19), 79.0°(0.17), 80.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-115474 | 3.98 3.98 3.30
90 90 120
B 0.000 0.000 0.000
Br 0.333 0.667 0.000
N 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Nb2FeRu.
The XRD pattern shows main peaks at: 40.6°(1.0), 58.8°(0.17), 73.9°(0.32), 88.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156956 | 4.44 4.44 4.44
60 60 60
Nb 0.000 0.000 0.000
Nb 0.500 0.500 0.500
Fe 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ti2CoSn.
The XRD pattern shows main peaks at: 24.3°(0.17), 28.2°(0.06), 40.3°(1.0), 47.6°(0.11), 58.3°(0.16), 73.2°(0.34), 87.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183979 | 4.48 4.48 4.48
60 60 60
Ti -0.000 -0.000 -0.000
Ti 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: Ge3Mo5.
The XRD pattern shows main peaks at: 34.6°(0.14), 36.6°(0.37), 37.4°(0.21), 40.7°(1.0), 41.7°(0.29), 42.4°(0.62), 51.9°(0.12), 61.0°(0.17), 66.2°(0.22), 68.2°(0.1), 73.0°(0.08), 83.2°(0.19), 87.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-153411 | 7.50 7.50 5.18
90 90 120
Ge 0.606 1.000 0.250
Ge 1.000 0.606 0.250
Ge 0.394 0.394 0.250
Ge 0.394 0.000 0.750
Ge 0.000 0.394 0.750
Ge 0.606 0.606 0.750
Mo 0.333 0.667 0.000
Mo 0.667 0.333 0.500
Mo 0.667 0.333 0.000
Mo 0.333 0.667 0.500
Mo 0.229 0.000 0.250
Mo 0.000 0.229 0.250
Mo 0.771 0.771 0.250
Mo 0.771 1.000 0.750
M... |
Below is a description of a material. | The chemical formula is: VMo.
The XRD pattern shows main peaks at: 29.1°(0.15), 41.7°(1.0), 60.4°(0.17), 68.4°(0.06), 76.0°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127523 | 3.07 3.07 3.07
90 90 90
V 0.000 0.000 0.000
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ScInRh.
The XRD pattern shows main peaks at: 22.3°(0.2), 36.9°(1.0), 39.2°(0.73), 54.9°(0.31), 60.1°(0.07), 69.5°(0.3), 71.0°(0.12), 74.1°(0.21), 84.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-181562 | 4.60 4.60 3.08
90 90 120
Sc 0.667 0.333 0.500
In -0.000 -0.000 0.000
Rh 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: SrZrSe3.
The XRD pattern shows main peaks at: 12.2°(0.06), 15.7°(0.07), 20.7°(0.06), 25.2°(0.07), 27.1°(0.11), 30.6°(0.86), 31.7°(0.25), 32.4°(1.0), 34.9°(0.07), 38.3°(0.33), 42.1°(0.09), 44.4°(0.13), 45.6°(0.31), 48.2°(0.09), 50.3°(0.1), 56.6°(0.1), 57.0°(0.2), 65.5°(0.09), 74.9°(0.06), 75.9°(... | JVASP-165238 | 3.98 8.99 14.55
90 90 90
Sr 0.750 0.562 0.322
Sr 0.250 0.438 0.678
Sr 0.750 0.062 0.178
Sr 0.250 0.938 0.822
Zr 0.750 0.829 0.557
Zr 0.250 0.171 0.443
Zr 0.750 0.329 0.943
Zr 0.250 0.671 0.057
Se 0.750 0.981 0.392
Se 0.250 0.019 0.608
Se 0.750 0.481 0.108
Se 0.250 0.519 0.892
Se 0.750 0.840 0.986
Se 0.250 0.160 0.014
S... |
Below is a description of a material. | The chemical formula is: Hg3Bi.
The XRD pattern shows main peaks at: 30.7°(0.31), 31.5°(0.21), 35.2°(1.0), 44.6°(0.18), 56.1°(0.16), 57.5°(0.23), 65.4°(0.22), 68.0°(0.15), 84.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99423 | 6.55 6.55 5.82
90 90 120
Hg 0.166 0.333 0.250
Hg 0.667 0.834 0.250
Hg 0.166 0.834 0.250
Hg 0.834 0.667 0.750
Hg 0.333 0.166 0.750
Hg 0.834 0.166 0.750
Bi 0.333 0.667 0.750
Bi 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: YB.
The XRD pattern shows main peaks at: 26.0°(0.56), 27.9°(0.61), 31.5°(1.0), 32.7°(0.58), 38.7°(0.58), 43.7°(0.47), 51.3°(0.14), 51.7°(0.26), 52.7°(0.22), 56.6°(0.1), 57.6°(0.09), 58.2°(0.1), 59.4°(0.14), 61.4°(0.28), 65.7°(0.09), 75.8°(0.16), 81.2°(0.07).
Generate atomic structure descriptio... | JVASP-185232 | 3.17 6.64 3.56
105 90 90
Y -0.002 0.953 0.167
Y 0.498 0.464 0.423
B 0.498 0.164 0.773
B -0.002 0.253 0.817 |
Below is a description of a material. | The chemical formula is: MgCuSn.
The XRD pattern shows main peaks at: 24.7°(0.74), 28.6°(0.16), 41.0°(1.0), 48.4°(0.38), 59.3°(0.18), 74.6°(0.37), 88.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7705 | 4.41 4.41 4.41
59 59 59
Mg 0.250 0.250 0.250
Cu 0.000 0.000 0.000
Sn 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NbBiO3.
The XRD pattern shows main peaks at: 21.8°(0.21), 29.7°(1.0), 32.3°(0.78), 34.8°(0.07), 39.3°(0.15), 44.4°(0.53), 50.9°(0.22), 55.9°(0.36), 57.5°(0.17), 61.6°(0.19), 67.5°(0.15), 71.3°(0.17), 75.4°(0.15), 82.6°(0.13), 84.4°(0.08), 89.3°(0.11).
Generate atomic structure description with ... | JVASP-138256 | 4.11 4.11 4.11
84 84 84
Nb 0.506 0.506 0.506
Bi 0.006 0.006 0.006
O 0.006 0.506 0.506
O 0.506 0.506 0.006
O 0.506 0.006 0.506 |
Below is a description of a material. | The chemical formula is: Ti3Zn.
The XRD pattern shows main peaks at: 39.0°(1.0), 43.5°(0.17), 46.2°(0.28), 65.4°(0.19), 67.5°(0.08), 76.9°(0.11), 80.8°(0.19), 83.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187844 | 3.93 3.93 5.00
113 113 90
Zn 1.000 1.000 -0.000
Ti 0.250 0.750 0.500
Ti 0.750 0.250 0.500
Ti 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Hf2AlSi.
The XRD pattern shows main peaks at: 17.6°(0.06), 25.2°(0.31), 29.3°(0.67), 34.5°(1.0), 35.7°(0.6), 43.0°(0.26), 47.5°(0.18), 48.2°(0.17), 54.5°(0.11), 57.0°(0.26), 57.4°(0.22), 60.0°(0.06), 60.8°(0.3), 61.3°(0.1), 66.5°(0.09), 70.0°(0.13), 79.9°(0.13), 81.0°(0.18), 88.8°(0.12).
Genera... | JVASP-100385 | 5.39 5.39 3.83
90 90 139
Hf 0.853 0.147 0.500
Hf 0.148 0.852 0.000
Al 0.579 0.421 0.500
Si 0.421 0.579 0.000 |
Below is a description of a material. | The chemical formula is: VGaCo.
The XRD pattern shows main peaks at: 25.2°(0.05), 34.2°(0.15), 43.0°(0.81), 44.4°(1.0), 57.2°(0.2), 63.5°(0.25), 72.0°(0.06), 80.7°(0.23), 81.7°(0.14), 88.7°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178772 | 4.08 4.08 2.62
90 90 120
V -0.000 0.000 -0.000
Ga 0.667 0.333 0.500
Co 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: KInTeO.
The XRD pattern shows main peaks at: 10.6°(0.21), 17.0°(1.0), 21.2°(0.18), 22.7°(0.58), 25.1°(0.1), 26.8°(0.54), 29.4°(0.31), 32.4°(0.76), 33.7°(0.18), 34.4°(0.12), 35.4°(0.22), 38.1°(0.24), 40.2°(0.22), 40.8°(0.26), 42.2°(0.11), 44.5°(0.18), 47.2°(0.26), 49.5°(0.19), 51.0°(0.14), 59.4°... | JVASP-159900 | 4.42 8.38 6.65
90 90 90
K 0.000 0.252 0.117
K 0.000 0.748 0.617
In 0.500 0.884 0.034
In 0.500 0.115 0.535
Te 0.000 0.686 0.120
Te 0.000 0.314 0.620
O 0.500 0.086 0.219
O 0.500 0.914 0.719 |
Below is a description of a material. | The chemical formula is: GaAs.
The XRD pattern shows main peaks at: 25.3°(0.17), 31.2°(1.0), 48.5°(0.75), 52.1°(0.17), 55.5°(0.06), 61.9°(0.05), 68.0°(0.1), 73.9°(0.11), 76.7°(0.08), 85.1°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-153139 | 7.03 7.03 7.03
90 90 90
Ga 0.342 0.342 0.342
Ga 0.158 0.658 0.842
Ga 0.658 0.842 0.158
Ga 0.842 0.158 0.658
Ga 0.658 0.658 0.658
Ga 0.842 0.342 0.158
Ga 0.342 0.158 0.842
Ga 0.158 0.842 0.342
As 0.141 0.141 0.141
As 0.359 0.859 0.641
As 0.859 0.641 0.359
As 0.641 0.359 0.859
As 0.859 0.859 0.859
As 0.641 0.141 0.359
As... |
Below is a description of a material. | The chemical formula is: TiAu.
The XRD pattern shows main peaks at: 14.6°(0.41), 30.5°(0.5), 38.0°(0.61), 40.1°(1.0), 40.9°(0.15), 44.8°(0.06), 54.8°(0.21), 57.0°(0.06), 60.1°(0.11), 61.0°(0.06), 64.0°(0.14), 70.0°(0.38), 73.4°(0.06), 74.2°(0.15), 81.2°(0.07), 84.9°(0.05), 86.5°(0.1).
Generate atomic structure descript... | JVASP-37033 | 3.35 3.35 6.07
90 90 90
Ti 0.500 0.000 0.865
Ti 0.000 0.500 0.135
Au 0.500 0.000 0.358
Au 0.000 0.500 0.642 |
Below is a description of a material. | The chemical formula is: MoWS4.
The XRD pattern shows main peaks at: 3.5°(0.67), 10.6°(0.08), 14.2°(1.0), 32.4°(0.24), 33.2°(0.27), 35.5°(0.17), 57.7°(0.15), 59.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28668 | 3.19 3.19 25.01
90 90 119
Mo 0.333 0.666 0.000
Mo 0.667 0.334 0.751
W 0.333 0.667 0.501
W 0.667 0.333 0.250
S 0.333 0.667 0.313
S 0.334 0.667 0.814
S 0.666 0.333 -0.062
S 0.667 0.333 0.438
S 0.667 0.333 0.063
S 0.667 0.334 0.564
S 0.333 0.666 0.187
S 0.333 0.667 0.688 |
Below is a description of a material. | The chemical formula is: TmNb.
The XRD pattern shows main peaks at: 17.1°(0.1), 32.6°(0.28), 34.6°(0.26), 37.0°(1.0), 48.3°(0.18), 58.1°(0.17), 63.6°(0.2), 69.4°(0.18), 70.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126664 | 3.17 3.17 5.18
90 90 120
Tm 0.333 0.667 0.750
Nb 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: ThSi2Os2.
The XRD pattern shows main peaks at: 18.1°(0.08), 22.8°(0.28), 34.6°(0.21), 35.0°(1.0), 36.6°(0.19), 42.5°(0.37), 57.3°(0.22), 61.7°(0.11), 64.8°(0.18), 72.9°(0.25), 73.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85898 | 4.25 4.25 5.76
111 111 90
Th 0.000 0.000 0.000
Si 0.631 0.631 0.262
Si 0.369 0.369 0.738
Os 0.750 0.250 0.500
Os 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: CaUO4.
The XRD pattern shows main peaks at: 14.9°(0.69), 27.0°(0.55), 28.4°(1.0), 30.2°(0.26), 33.4°(0.38), 36.8°(0.2), 44.7°(0.11), 45.9°(0.06), 46.8°(0.39), 49.1°(0.3), 55.6°(0.15), 56.7°(0.29), 58.7°(0.12), 70.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-86435 | 6.34 6.34 6.34
35 35 35
Ca 0.500 0.500 0.500
U 0.000 0.000 0.000
O 0.637 0.637 0.637
O 0.363 0.363 0.363
O 0.112 0.112 0.112
O 0.888 0.888 0.888 |
Below is a description of a material. | The chemical formula is: AsSeBr.
The XRD pattern shows main peaks at: 22.5°(0.27), 26.1°(0.14), 37.2°(1.0), 43.9°(0.13), 53.6°(0.16), 58.9°(0.06), 60.6°(0.05), 67.1°(0.35), 79.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51096 | 4.83 4.83 4.83
60 60 60
As 0.000 0.000 0.000
Se 0.750 0.750 0.750
Br 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfCdRh2.
The XRD pattern shows main peaks at: 39.6°(1.0), 57.2°(0.18), 71.8°(0.35), 85.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193711 | 4.56 4.56 4.56
60 60 60
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750
Hf 0.500 0.500 0.500
Cd 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: GaO2.
The XRD pattern shows main peaks at: 22.4°(0.6), 28.0°(1.0), 29.5°(0.11), 36.1°(0.33), 37.4°(0.5), 41.1°(0.11), 47.3°(0.52), 54.5°(0.06), 55.4°(0.24), 57.8°(0.11), 61.2°(0.09), 63.2°(0.31), 66.1°(0.07), 68.6°(0.12), 70.9°(0.15), 73.2°(0.09), 78.3°(0.07), 84.2°(0.12), 89.2°(0.06).
Generate... | JVASP-136683 | 3.03 3.19 3.96
90 90 90
Ga 0.467 0.000 0.133
O -0.033 0.000 -0.577
O -0.033 0.000 -0.156 |
Below is a description of a material. | The chemical formula is: AsRh2W.
The XRD pattern shows main peaks at: 24.9°(0.07), 28.8°(0.07), 41.2°(1.0), 59.6°(0.17), 75.0°(0.36), 89.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75735 | 4.39 4.39 4.39
60 60 60
As 0.500 0.500 0.500
Rh 0.000 0.000 0.000
Rh 0.250 0.250 0.250
W 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiCdAs.
The XRD pattern shows main peaks at: 24.3°(1.0), 40.3°(0.85), 47.6°(0.51), 58.3°(0.14), 64.1°(0.2), 73.2°(0.29), 78.5°(0.14), 87.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116427 | 4.48 4.48 4.48
60 60 60
Li 0.000 0.000 0.000
Cd 0.250 0.250 0.250
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CoPtF6.
The XRD pattern shows main peaks at: 19.3°(0.13), 21.8°(0.3), 24.5°(1.0), 33.3°(0.4), 36.4°(0.2), 38.8°(0.08), 41.5°(0.2), 44.4°(0.18), 50.2°(0.15), 54.5°(0.31), 57.5°(0.09), 58.7°(0.17), 63.6°(0.13), 65.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-107388 | 5.42 5.42 5.42
54 54 54
Co 0.500 0.500 0.500
Pt 0.000 0.000 0.000
F 0.253 0.592 0.906
F 0.592 0.906 0.253
F 0.408 0.094 0.747
F 0.747 0.408 0.094
F 0.906 0.253 0.592
F 0.094 0.747 0.408 |
Below is a description of a material. | The chemical formula is: Li4CO4.
The XRD pattern shows main peaks at: 22.2°(0.26), 22.5°(1.0), 27.2°(0.1), 28.5°(0.07), 35.3°(0.36), 36.4°(0.37), 45.3°(0.11), 47.1°(0.08), 56.3°(0.13), 57.7°(0.08), 61.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110297 | 4.54 4.54 5.08
64 64 92
Li 0.738 0.738 0.072
Li 0.538 0.037 0.472
Li 0.037 0.538 0.472
Li 0.327 0.327 0.892
C 0.031 0.031 0.485
O 0.752 0.107 0.689
O 0.107 0.752 0.689
O 0.950 0.950 0.275
O 0.322 0.322 0.276 |
Below is a description of a material. | The chemical formula is: Li2SnRh.
The XRD pattern shows main peaks at: 24.6°(1.0), 40.7°(0.96), 48.1°(0.49), 58.9°(0.16), 74.1°(0.31), 88.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193156 | 4.43 4.43 4.43
60 60 59
Rh -0.000 0.000 -0.000
Sn 0.750 0.750 0.750
Li 0.500 0.500 0.500
Li 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: IrOs2Br.
The XRD pattern shows main peaks at: 24.4°(0.06), 40.3°(1.0), 58.3°(0.17), 73.2°(0.31), 87.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51228 | 4.48 4.48 4.48
60 60 60
Ir 0.500 0.500 0.500
Os 0.250 0.250 0.250
Os 0.750 0.750 0.750
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaSiCl.
The XRD pattern shows main peaks at: 19.9°(1.0), 23.0°(0.12), 32.8°(0.86), 38.6°(0.55), 47.0°(0.17), 51.5°(0.24), 52.9°(0.06), 58.5°(0.32), 62.4°(0.18), 68.6°(0.1), 72.3°(0.17), 78.2°(0.14), 81.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-66109 | 5.47 5.47 5.47
60 60 60
Ba 0.750 0.750 0.750
Si 0.500 0.500 0.500
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CrOF.
The XRD pattern shows main peaks at: 25.5°(0.85), 30.8°(0.56), 31.3°(1.0), 35.4°(0.15), 36.6°(0.19), 37.4°(0.13), 40.8°(0.19), 41.9°(0.19), 42.6°(0.13), 43.8°(0.27), 49.3°(0.08), 53.7°(0.21), 54.4°(0.35), 55.3°(0.33), 55.9°(0.27), 61.3°(0.15), 63.9°(0.16), 65.3°(0.12), 66.7°(0.11), 67.7°(... | JVASP-45926 | 5.07 4.51 5.54
90 91 90
Cr 0.274 0.480 0.649
Cr 0.274 0.020 0.149
Cr 0.726 0.980 0.851
Cr 0.726 0.520 0.351
O 0.426 0.228 0.888
O 0.426 0.272 0.388
O 0.574 0.728 0.612
O 0.574 0.772 0.112
F 0.080 0.757 0.887
F 0.080 0.743 0.387
F 0.920 0.257 0.613
F 0.920 0.243 0.113 |
Below is a description of a material. | The chemical formula is: HoMgTl2.
The XRD pattern shows main peaks at: 20.8°(0.13), 24.1°(0.15), 34.3°(1.0), 40.5°(0.07), 49.3°(0.18), 55.6°(0.07), 61.5°(0.35), 72.3°(0.12), 82.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79898 | 5.23 5.23 5.23
60 60 60
Ho 0.250 0.250 0.250
Mg 0.750 0.750 0.750
Tl 0.500 0.500 0.500
Tl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CuHgO2.
The XRD pattern shows main peaks at: 16.1°(0.7), 25.8°(0.16), 30.1°(0.95), 31.0°(0.68), 32.5°(0.47), 33.7°(1.0), 40.7°(0.74), 41.3°(0.21), 42.7°(0.11), 50.4°(0.31), 53.0°(0.22), 53.7°(0.35), 56.0°(0.11), 56.9°(0.32), 57.7°(0.12), 61.8°(0.12), 65.5°(0.19), 68.3°(0.19), 70.3°(0.16), 70.8°... | JVASP-79310 | 3.00 3.77 5.71
97 105 66
Cu 0.000 0.000 0.000
Hg 0.500 0.500 0.500
O 0.566 0.087 0.218
O 0.434 0.913 0.782 |
Below is a description of a material. | The chemical formula is: TbPmIr2.
The XRD pattern shows main peaks at: 36.5°(1.0), 52.6°(0.18), 65.7°(0.34), 77.6°(0.12), 89.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107698 | 4.92 4.92 4.92
60 60 60
Tb 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Ir 0.250 0.250 0.250
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ba3SrAg4.
The XRD pattern shows main peaks at: 17.2°(0.22), 24.9°(0.33), 27.6°(0.99), 29.2°(0.42), 29.4°(0.37), 30.8°(0.69), 31.0°(0.64), 34.6°(1.0), 36.3°(0.67), 44.6°(0.14), 45.0°(0.14), 47.3°(0.27), 50.3°(0.12), 50.8°(0.33), 56.4°(0.16), 58.8°(0.2), 60.1°(0.11), 61.9°(0.12), 64.2°(0.31), 68.... | JVASP-106136 | 4.95 6.53 8.52
89 90 90
Ba 0.500 0.367 0.183
Ba 0.000 0.867 0.321
Ba 0.000 0.634 0.818
Sr 0.500 0.134 0.681
Ag 0.500 0.621 0.541
Ag 0.500 0.884 0.029
Ag 0.000 0.366 0.473
Ag 0.000 0.126 0.954 |
Below is a description of a material. | The chemical formula is: CaTe.
The XRD pattern shows main peaks at: 22.8°(0.3), 32.5°(1.0), 40.0°(0.09), 46.6°(0.18), 52.5°(0.13), 57.9°(0.37), 68.0°(0.12), 72.7°(0.06), 77.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16306 | 3.90 3.90 3.90
90 90 90
Ca 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HfV2.
The XRD pattern shows main peaks at: 21.1°(0.32), 34.8°(0.82), 41.1°(1.0), 43.0°(0.1), 62.4°(0.3), 66.7°(0.31), 73.5°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-167922 | 5.15 5.15 5.15
59 59 59
Hf 0.375 0.875 0.375
Hf 0.625 0.125 0.625
V 0.000 0.500 0.500
V 0.000 -0.000 -0.000
V 0.500 0.500 -0.000
V 0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: YBe2Sb.
The XRD pattern shows main peaks at: 22.3°(0.72), 29.9°(0.71), 37.6°(1.0), 42.7°(0.31), 45.6°(0.14), 48.8°(0.34), 55.5°(0.23), 62.1°(0.1), 64.3°(0.19), 66.8°(0.14), 70.4°(0.12), 74.9°(0.25), 78.9°(0.11), 80.3°(0.11), 86.6°(0.07), 88.0°(0.12).
Generate atomic structure description with l... | JVASP-70956 | 4.23 4.23 3.98
90 90 90
Y 0.000 0.000 0.500
Be 0.500 0.000 0.000
Be 0.000 0.500 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KSn3Au3.
The XRD pattern shows main peaks at: 14.7°(0.46), 18.7°(0.24), 20.9°(0.12), 24.7°(0.19), 30.4°(0.38), 31.1°(1.0), 34.0°(0.15), 37.9°(0.68), 39.5°(0.45), 41.3°(0.96), 42.5°(0.23), 46.5°(0.15), 49.4°(0.21), 54.7°(0.12), 55.9°(0.17), 61.5°(0.13), 64.3°(0.13), 66.8°(0.15), 70.8°(0.21), 79.... | JVASP-85242 | 4.74 7.80 9.51
90 90 90
K 0.250 0.750 0.267
K 0.750 0.250 0.733
Sn 0.750 0.454 0.122
Sn 0.750 0.046 0.122
Sn 0.250 0.954 0.878
Sn 0.250 0.546 0.878
Sn 0.250 0.250 0.385
Sn 0.750 0.750 0.615
Au 0.750 0.031 0.414
Au 0.250 0.250 0.072
Au 0.750 0.750 0.928
Au 0.250 0.969 0.586
Au 0.250 0.531 0.586
Au 0.750 0.469 0.414 |
Below is a description of a material. | The chemical formula is: YSn6Ru4.
The XRD pattern shows main peaks at: 15.6°(0.26), 18.0°(0.07), 25.7°(0.23), 30.3°(0.56), 31.6°(0.5), 36.7°(0.34), 40.0°(1.0), 40.9°(0.57), 41.3°(0.41), 52.7°(0.27), 56.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51567 | 6.92 6.92 6.95
119 119 90
Y 0.000 0.000 0.000
Sn 0.534 0.880 0.415
Sn 0.880 0.534 0.415
Sn 0.120 0.120 0.585
Sn 0.500 0.000 -0.000
Sn 0.466 0.466 0.585
Sn 0.000 0.500 -0.000
Ru 0.599 0.248 0.848
Ru 0.401 0.401 0.152
Ru 0.248 0.599 0.848
Ru 0.752 0.752 0.152 |
Below is a description of a material. | The chemical formula is: SrAu2.
The XRD pattern shows main peaks at: 15.9°(0.08), 21.4°(0.2), 23.7°(0.29), 30.9°(0.12), 32.1°(0.8), 37.5°(1.0), 44.8°(0.34), 46.4°(0.11), 48.5°(0.06), 50.2°(0.2), 54.1°(0.11), 61.1°(0.1), 62.8°(0.2), 67.7°(0.12), 69.3°(0.12), 80.0°(0.06).
Generate atomic structure description with lattic... | JVASP-14715 | 4.79 6.09 6.09
76 66 66
Sr 0.534 0.716 0.216
Sr 0.466 0.284 0.784
Au 0.164 0.298 0.374
Au 0.836 0.702 0.626
Au 0.164 0.874 0.798
Au 0.836 0.126 0.202 |
Below is a description of a material. | The chemical formula is: K2NaSbCl6.
The XRD pattern shows main peaks at: 14.5°(0.55), 16.7°(0.58), 23.8°(0.6), 27.9°(0.05), 29.2°(0.28), 33.8°(1.0), 48.6°(0.7), 60.5°(0.21), 71.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100674 | 7.49 7.49 7.49
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Na 0.500 0.500 0.500
Sb 0.000 0.000 0.000
Cl 0.751 0.249 0.249
Cl 0.249 0.249 0.751
Cl 0.249 0.751 0.751
Cl 0.249 0.751 0.249
Cl 0.751 0.249 0.751
Cl 0.751 0.751 0.249 |
Below is a description of a material. | The chemical formula is: Te4Mo3WSe2S2.
The XRD pattern shows main peaks at: 2.5°(1.0), 5.1°(0.98), 7.6°(0.21), 12.7°(0.12), 30.3°(0.11), 53.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29126 | 3.41 3.41 34.96
90 90 120
Te 0.333 0.667 0.711
Te 0.667 0.333 0.038
Te 0.667 0.333 0.145
Te 0.333 0.667 0.603
Mo 0.333 0.667 0.091
Mo 0.333 0.667 0.467
Mo 0.667 0.333 0.288
W 0.667 0.333 0.657
Se 0.333 0.667 0.335
Se 0.333 0.666 0.241
S 0.667 0.333 0.424
S 0.667 0.333 0.510 |
Below is a description of a material. | The chemical formula is: CaMn3Al9.
The XRD pattern shows main peaks at: 14.1°(0.11), 19.9°(0.62), 28.5°(0.13), 35.0°(0.25), 40.5°(1.0), 41.3°(0.52), 41.6°(0.4), 45.3°(0.2), 45.7°(0.33), 46.3°(0.47), 46.8°(0.21), 58.2°(0.06), 59.0°(0.12), 66.0°(0.06), 67.6°(0.08), 73.9°(0.14), 74.6°(0.13), 76.3°(0.08), 87.5°(0.07), 89.7... | JVASP-176568 | 4.99 6.82 6.78
97 112 68
Ca -0.000 0.000 0.000
Mn -0.000 0.000 0.500
Mn 0.500 0.500 0.000
Mn -0.000 0.500 0.000
Al 0.734 0.774 0.214
Al 0.266 0.226 0.786
Al 0.492 0.774 0.786
Al 0.508 0.226 0.214
Al 0.663 0.353 0.667
Al 0.337 0.647 0.333
Al 0.985 0.353 0.333
Al 0.015 0.647 0.667
Al 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ti2MoOs.
The XRD pattern shows main peaks at: 14.0°(0.2), 28.3°(0.17), 28.7°(0.33), 32.1°(0.11), 40.7°(1.0), 41.1°(0.54), 43.6°(0.05), 50.6°(0.15), 58.5°(0.09), 59.5°(0.18), 66.4°(0.07), 67.2°(0.07), 73.9°(0.17), 74.6°(0.35), 88.3°(0.11), 89.1°(0.05).
Generate atomic structure description with ... | JVASP-192040 | 3.11 3.11 6.31
90 90 90
Mo 0.500 0.500 0.500
Os 0.500 0.500 0.000
Ti 0.000 0.000 0.755
Ti -0.000 -0.000 0.245 |
Below is a description of a material. | The chemical formula is: Np2S3.
The XRD pattern shows main peaks at: 24.0°(1.0), 24.5°(0.46), 25.9°(0.53), 26.7°(0.69), 27.1°(0.66), 28.6°(0.29), 29.9°(0.76), 33.5°(0.35), 35.8°(0.55), 38.6°(0.4), 42.3°(0.33), 42.8°(0.31), 45.1°(0.34), 46.9°(0.33), 49.6°(0.24), 50.6°(0.42), 51.1°(0.29), 53.4°(0.24), 54.9°(0.33), 71.8°(... | JVASP-97618 | 3.88 10.38 10.56
90 90 90
Np 0.250 0.317 0.992
Np 0.750 0.683 0.008
Np 0.750 0.817 0.508
Np 0.250 0.183 0.492
Np 0.250 0.508 0.313
Np 0.750 0.492 0.687
Np 0.750 0.008 0.187
Np 0.250 0.992 0.813
S 0.750 0.797 0.772
S 0.250 0.203 0.228
S 0.250 0.944 0.375
S 0.750 0.056 0.625
S 0.750 0.444 0.125
S 0.750 0.131 0.949
S 0.25... |
Below is a description of a material. | The chemical formula is: BaCdPb.
The XRD pattern shows main peaks at: 19.4°(0.28), 22.4°(0.2), 31.9°(1.0), 37.6°(0.16), 39.4°(0.06), 45.8°(0.17), 50.1°(0.07), 51.5°(0.09), 56.9°(0.37), 60.7°(0.05), 66.7°(0.12), 70.2°(0.06), 75.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-66156 | 5.61 5.61 5.61
60 60 60
Ba 0.750 0.750 0.750
Cd 0.000 0.000 0.000
Pb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeGaNi2.
The XRD pattern shows main peaks at: 27.8°(0.27), 32.3°(0.08), 46.3°(1.0), 54.9°(0.12), 67.5°(0.16), 85.8°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183624 | 3.92 3.92 3.92
60 60 60
Be 0.000 0.000 0.000
Ga 0.500 0.500 0.500
Ni 0.750 0.750 0.750
Ni 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Sc2ZnHg.
The XRD pattern shows main peaks at: 22.5°(0.27), 26.0°(0.32), 37.1°(1.0), 43.8°(0.06), 45.8°(0.1), 53.4°(0.17), 66.8°(0.35), 79.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106596 | 4.85 4.85 4.85
60 60 60
Sc 0.250 0.250 0.250
Sc 0.750 0.750 0.750
Zn 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Nb2CrOs.
The XRD pattern shows main peaks at: 13.6°(0.45), 27.4°(0.33), 31.2°(1.0), 37.6°(0.6), 39.3°(1.0), 41.8°(0.11), 47.7°(0.27), 48.6°(0.25), 55.9°(0.08), 62.2°(0.27), 65.0°(0.11), 73.9°(0.17), 78.3°(0.07), 83.1°(0.1), 84.5°(0.11).
Generate atomic structure description with lattice lengths... | JVASP-76862 | 13.02 6.93 6.93
23 20 20
Nb 0.818 -0.000 0.000
Nb 0.182 0.000 -0.000
Cr 0.000 0.000 0.000
Os 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: AsPdSe.
The XRD pattern shows main peaks at: 24.7°(0.45), 40.9°(1.0), 48.4°(0.22), 59.3°(0.19), 65.2°(0.09), 74.6°(0.37), 80.0°(0.07), 88.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75545 | 4.41 4.41 4.41
60 60 60
As 0.500 0.500 0.500
Pd 0.250 0.250 0.250
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ti2HgC.
The XRD pattern shows main peaks at: 12.5°(1.0), 25.2°(0.38), 33.4°(0.59), 34.2°(0.65), 37.3°(0.9), 38.2°(0.36), 39.5°(0.84), 44.9°(0.31), 48.1°(0.19), 55.0°(0.15), 59.1°(0.34), 60.7°(0.15), 65.3°(0.17), 67.0°(0.18), 70.1°(0.06), 71.4°(0.13), 72.0°(0.13), 72.6°(0.32), 73.4°(0.12).
Gener... | JVASP-189929 | 3.13 3.13 7.29
77 77 60
Ti 0.053 0.053 0.842
Ti 0.280 0.280 0.159
Hg 0.500 0.500 0.501
C 0.668 0.668 0.997 |
Below is a description of a material. | The chemical formula is: BeNbGa.
The XRD pattern shows main peaks at: 27.3°(0.37), 38.4°(1.0), 48.3°(0.36), 54.4°(0.08), 62.0°(0.07), 63.3°(0.22), 75.7°(0.18), 83.4°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192524 | 3.37 3.77 3.77
120 90 90
Be 0.167 -0.000 -0.000
Nb 0.667 0.667 0.333
Ga 0.166 0.333 0.667 |
Below is a description of a material. | The chemical formula is: CaCeMg6.
The XRD pattern shows main peaks at: 13.2°(0.35), 18.7°(0.38), 23.0°(0.18), 26.6°(0.35), 32.7°(1.0), 35.4°(0.14), 37.9°(0.32), 42.7°(0.1), 46.9°(0.12), 54.8°(0.24), 65.2°(0.12), 65.5°(0.13), 68.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-94802 | 6.72 9.51 4.72
90 90 135
Ca 0.250 0.375 0.250
Ce 0.250 0.875 0.250
Mg 0.750 0.375 0.250
Mg 0.750 0.875 0.250
Mg 0.250 0.121 0.750
Mg 0.250 0.629 0.750
Mg 0.742 0.121 0.750
Mg 0.758 0.629 0.750 |
Below is a description of a material. | The chemical formula is: MnZnF3.
The XRD pattern shows main peaks at: 22.0°(0.13), 31.3°(1.0), 38.5°(0.06), 44.8°(0.57), 50.4°(0.06), 55.6°(0.41), 65.2°(0.32), 74.1°(0.17), 82.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118283 | 4.05 4.05 4.05
90 90 90
Mn 0.000 0.000 0.000
Zn 0.500 0.500 0.500
F 0.000 0.500 0.500
F 0.500 0.000 0.500
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: AgO.
The XRD pattern shows main peaks at: 31.8°(1.0), 38.8°(0.11), 39.5°(0.11), 51.2°(0.16), 51.8°(0.15), 56.6°(0.12), 57.0°(0.18), 65.9°(0.12), 66.9°(0.12), 84.1°(0.06), 85.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92340 | 4.56 5.58 4.64
90 90 90
Ag 0.500 -0.000 0.500
Ag 0.000 0.500 0.500
Ag 0.500 0.500 0.000
Ag 0.000 0.000 0.000
O 0.250 0.750 0.250
O 0.750 0.750 0.750
O 0.750 0.250 0.750
O 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: UN.
The XRD pattern shows main peaks at: 31.8°(1.0), 36.9°(0.63), 53.1°(0.42), 63.3°(0.44), 66.4°(0.15), 78.5°(0.08), 87.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20478 | 3.45 3.45 3.45
60 60 60
U 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li2MnN2.
The XRD pattern shows main peaks at: 15.2°(0.44), 18.1°(0.06), 19.0°(1.0), 33.0°(0.19), 35.9°(0.1), 38.5°(0.06), 39.4°(0.09), 40.0°(0.06), 43.8°(0.16), 45.8°(0.15), 47.8°(0.06), 49.2°(0.13), 55.3°(0.07), 62.7°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-117048 | 6.36 11.63 4.94
90 86 23
Li 0.707 0.962 0.815
Li 0.707 0.331 0.815
Li 0.293 0.038 0.185
Li 0.293 0.669 0.185
Li 0.183 0.908 0.717
Li 0.817 0.092 0.283
Mn -0.000 0.500 0.000
Mn 0.000 0.404 0.500
Mn -0.000 0.596 0.500
N 0.598 0.845 0.793
N 0.598 0.557 0.793
N 0.402 0.155 0.207
N 0.402 0.443 0.207
N 0.534 0.733 0.337
N 0.... |
Below is a description of a material. | The chemical formula is: HfTiOs2.
The XRD pattern shows main peaks at: 24.2°(0.1), 28.1°(0.07), 40.1°(1.0), 58.0°(0.17), 72.9°(0.33), 86.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191483 | 4.50 4.50 4.50
60 60 60
Hf 0.250 0.250 0.250
Os 0.000 0.000 0.000
Os 0.500 0.500 0.500
Ti 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CaMnO3.
The XRD pattern shows main peaks at: 23.8°(0.21), 33.9°(1.0), 40.1°(0.06), 48.7°(0.43), 54.9°(0.05), 60.8°(0.3), 71.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155008 | 5.27 5.33 7.47
90 90 90
Ca 0.009 0.044 0.750
Ca 0.509 0.456 0.250
Ca 0.991 0.956 0.250
Ca 0.491 0.544 0.750
Mn 0.000 0.500 0.000
Mn 0.500 0.000 0.000
Mn 0.000 0.500 0.500
Mn 0.500 0.000 0.500
O 0.208 0.791 0.961
O 0.708 0.709 0.039
O 0.208 0.791 0.539
O 0.708 0.709 0.461
O 0.792 0.209 0.039
O 0.425 0.015 0.250
O 0.575 ... |
Below is a description of a material. | The chemical formula is: TmCo3B2.
The XRD pattern shows main peaks at: 20.7°(0.37), 36.4°(1.0), 42.1°(0.81), 47.5°(0.51), 61.4°(0.09), 65.3°(0.36), 73.2°(0.16), 77.2°(0.25), 88.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15627 | 4.96 4.96 3.02
90 90 119
Tm 0.000 0.000 0.000
Co 0.000 0.500 0.500
Co 0.500 0.500 0.500
Co 0.500 -0.000 0.500
B 0.333 0.667 0.000
B 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Hf3TlH.
The XRD pattern shows main peaks at: 35.0°(1.0), 40.6°(0.46), 58.8°(0.33), 70.3°(0.39), 74.0°(0.11), 88.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188021 | 4.44 4.44 4.44
90 90 90
H 0.000 0.000 0.000
Tl 0.500 0.500 0.500
Hf 0.000 0.500 0.000
Hf 0.000 0.000 0.500
Hf 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sr2Pt.
The XRD pattern shows main peaks at: 16.0°(0.53), 18.8°(0.38), 23.7°(0.13), 24.8°(0.08), 30.5°(1.0), 32.3°(0.3), 33.1°(0.26), 37.7°(0.15), 38.3°(0.73), 41.6°(0.09), 45.6°(0.14), 50.9°(0.15), 51.4°(0.15), 53.3°(0.07), 57.0°(0.11), 60.9°(0.12), 63.2°(0.08).
Generate atomic structure descri... | JVASP-185402 | 4.71 7.54 3.98
105 89 128
Sr 0.674 0.175 0.540
Sr 0.654 0.655 0.280
Pt 0.091 0.092 -0.002 |
Below is a description of a material. | The chemical formula is: BaAl2F.
The XRD pattern shows main peaks at: 13.1°(0.62), 24.2°(0.8), 26.4°(0.59), 30.7°(0.46), 33.2°(0.14), 35.8°(1.0), 40.9°(0.21), 42.9°(0.14), 47.6°(0.2), 49.6°(0.08), 53.0°(0.32), 54.2°(0.21), 55.3°(0.28), 57.8°(0.15), 64.6°(0.11), 69.7°(0.07), 74.2°(0.07), 75.1°(0.13), 75.9°(0.11), 80.9°(... | JVASP-182981 | 7.27 7.27 7.27
149 149 43
Ba 0.500 0.500 0.000
Al 0.250 0.750 0.500
Al 0.750 0.250 0.500
F -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: N.
The XRD pattern shows main peaks at: 28.3°(1.0), 32.8°(0.37), 36.7°(0.05), 40.4°(0.07), 47.0°(0.12), 55.8°(0.05), 63.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25051 | 5.47 5.47 5.47
90 90 90
N 0.058 0.058 0.058
N 0.442 0.942 0.558
N 0.558 0.442 0.942
N 0.942 0.558 0.442
N 0.941 0.941 0.941
N 0.559 0.059 0.441
N 0.441 0.559 0.059
N 0.059 0.441 0.559 |
Below is a description of a material. | The chemical formula is: KNp2Se6.
The XRD pattern shows main peaks at: 8.2°(1.0), 16.5°(0.15), 20.3°(0.45), 25.1°(0.18), 27.2°(0.08), 30.2°(0.76), 33.4°(0.18), 36.5°(0.08), 37.1°(0.23), 39.6°(0.26), 41.4°(0.35), 42.0°(0.06), 43.5°(0.22), 44.5°(0.17), 47.1°(0.08).
Generate atomic structure description with lattice lengt... | JVASP-169457 | 4.07 5.53 11.29
104 100 90
K 0.000 0.000 -0.000
Np 0.181 0.681 0.362
Np 0.819 0.319 0.638
Se 0.776 0.776 0.552
Se 0.224 0.224 0.448
Se 0.604 0.845 0.209
Se 0.396 0.155 0.791
Se 0.396 0.636 0.791
Se 0.604 0.364 0.209 |
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