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: NaRhO2.
The XRD pattern shows main peaks at: 17.4°(1.0), 33.4°(0.41), 35.0°(0.59), 40.7°(0.95), 44.5°(0.13), 53.8°(0.17), 58.7°(0.32), 59.0°(0.29), 61.7°(0.18), 70.3°(0.22), 73.9°(0.14), 88.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-115263 | 5.41 5.41 5.41
33 33 33
Na 0.000 0.000 0.000
Rh 0.500 0.500 0.500
O 0.234 0.234 0.234
O 0.766 0.766 0.766 |
Below is a description of a material. | The chemical formula is: Hf3Sc.
The XRD pattern shows main peaks at: 13.8°(0.07), 16.0°(0.07), 32.3°(0.23), 35.8°(0.24), 37.0°(1.0), 48.9°(0.15), 57.5°(0.17), 65.1°(0.19), 69.6°(0.2), 70.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-149701 | 6.41 5.55 5.02
90 90 90
Hf 0.876 0.085 0.250
Hf 0.124 -0.085 0.750
Hf 0.372 0.077 0.250
Hf 0.628 -0.077 0.750
Hf 0.121 0.585 0.250
Hf 0.879 0.415 0.750
Sc 0.374 0.415 0.750
Sc 0.626 0.585 0.250 |
Below is a description of a material. | The chemical formula is: TcNi3.
The XRD pattern shows main peaks at: 24.7°(0.05), 43.6°(1.0), 50.7°(0.5), 74.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126344 | 3.60 3.60 3.60
90 90 90
Tc 0.000 0.000 0.000
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Nb2CuCS2.
The XRD pattern shows main peaks at: 9.7°(0.47), 19.5°(0.05), 29.4°(0.14), 30.6°(0.7), 32.2°(0.41), 36.5°(1.0), 39.5°(0.1), 42.9°(0.81), 50.0°(0.09), 50.8°(0.24), 54.4°(0.53), 59.8°(0.1), 67.3°(0.05), 71.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-170480 | 3.37 3.37 9.12
89 90 120
Nb 0.333 0.667 0.119
Nb 0.667 0.333 0.871
Cu 0.333 0.667 0.451
C 0.000 0.000 0.997
S 0.333 0.667 0.692
S 0.667 0.333 0.310 |
Below is a description of a material. | The chemical formula is: UCo5.
The XRD pattern shows main peaks at: 21.9°(0.38), 22.8°(0.09), 29.9°(0.16), 33.7°(0.38), 35.7°(0.37), 38.2°(0.53), 44.9°(1.0), 46.3°(0.1), 47.0°(0.09), 48.1°(0.11), 69.0°(0.1), 73.7°(0.21), 81.7°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-164080 | 4.71 4.71 12.01
78 78 60
U 0.100 0.100 0.701
U 0.900 0.900 0.299
U -0.000 -0.000 -0.000
Co 0.061 0.554 0.830
Co 0.554 0.554 0.830
Co 0.554 0.061 0.830
Co 0.939 0.446 0.170
Co 0.446 0.446 0.170
Co 0.446 0.939 0.170
Co -0.000 -0.000 0.500
Co -0.000 0.500 0.500
Co 0.500 -0.000 0.500
Co 0.222 0.222 0.335
Co 0.778 0.778 0.6... |
Below is a description of a material. | The chemical formula is: Lu2ZnHg.
The XRD pattern shows main peaks at: 21.7°(0.09), 35.7°(1.0), 42.2°(0.06), 51.4°(0.18), 64.2°(0.38), 75.7°(0.12), 86.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39300 | 5.03 5.03 5.03
60 60 60
Lu 0.000 0.000 0.000
Lu 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Tm3Sn.
The XRD pattern shows main peaks at: 32.8°(1.0), 35.1°(0.2), 39.5°(0.28), 53.8°(0.25), 57.0°(0.1), 61.5°(0.16), 67.4°(0.25), 68.7°(0.11), 87.4°(0.06), 88.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109313 | 6.05 6.05 6.05
135 135 64
Tm 0.750 0.250 0.500
Tm 0.250 0.750 0.500
Tm 0.500 0.500 -0.000
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaMnBe2.
The XRD pattern shows main peaks at: 13.2°(0.46), 26.6°(0.62), 29.6°(0.94), 32.5°(0.32), 40.2°(1.0), 42.4°(0.42), 44.6°(0.1), 50.7°(0.49), 54.7°(0.08), 59.9°(0.07), 61.5°(0.13), 63.4°(0.25), 68.1°(0.16), 69.7°(0.15), 71.5°(0.15), 76.0°(0.31), 86.8°(0.09).
Generate atomic structure desc... | JVASP-71338 | 3.02 3.02 6.71
90 90 90
La 0.500 0.500 0.000
Mn 0.500 0.500 0.500
Be 0.000 0.000 0.656
Be 0.000 0.000 0.344 |
Below is a description of a material. | The chemical formula is: Zr2N2O.
The XRD pattern shows main peaks at: 20.8°(0.13), 29.6°(0.94), 30.4°(0.51), 32.2°(0.51), 33.2°(1.0), 35.5°(0.29), 37.1°(0.83), 41.5°(0.4), 42.2°(0.1), 44.3°(0.5), 47.7°(0.2), 48.1°(0.31), 51.7°(0.11), 53.1°(0.3), 56.4°(0.3), 58.9°(0.25), 62.0°(0.15), 63.7°(0.27), 67.3°(0.17), 69.3°(0.33... | JVASP-50202 | 3.14 8.50 8.56
90 90 90
Zr 0.250 0.001 0.182
Zr 0.750 0.179 0.495
Zr 0.750 0.321 0.995
Zr 0.250 0.499 0.682
Zr 0.750 0.501 0.318
Zr 0.250 0.679 0.005
Zr 0.250 0.821 0.505
Zr 0.750 0.999 0.818
N 0.750 0.944 0.376
N 0.750 0.867 0.047
N 0.750 0.633 0.547
N 0.750 0.556 0.876
N 0.250 0.133 0.953
N 0.250 0.367 0.453
N 0.250 ... |
Below is a description of a material. | The chemical formula is: TlAgCl2.
The XRD pattern shows main peaks at: 11.8°(0.1), 22.9°(0.07), 23.7°(0.49), 25.8°(1.0), 32.6°(0.62), 33.2°(0.17), 40.7°(0.46), 43.0°(0.43), 46.8°(0.22), 53.1°(0.21), 54.2°(0.28), 58.6°(0.07), 59.7°(0.11), 65.4°(0.23), 66.8°(0.08), 69.7°(0.07), 73.5°(0.08), 77.8°(0.1), 82.7°(0.12), 85.5°... | JVASP-182629 | 3.88 3.88 7.51
90 90 90
Tl 0.500 0.500 0.574
Ag -0.000 -0.000 0.045
Cl 0.000 -0.000 0.394
Cl 0.500 0.500 -0.003 |
Below is a description of a material. | The chemical formula is: ZrH.
The XRD pattern shows main peaks at: 33.5°(0.3), 34.0°(1.0), 42.3°(0.3), 55.0°(0.26), 60.2°(0.21), 61.3°(0.1), 72.0°(0.24), 85.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187707 | 3.02 3.02 5.35
90 90 90
Zr -0.000 0.000 -0.001
Zr 0.500 0.500 0.499
H 0.000 -0.000 0.589
H 0.500 0.500 0.089 |
Below is a description of a material. | The chemical formula is: GaCl.
The XRD pattern shows main peaks at: 25.6°(0.39), 29.2°(0.51), 29.9°(1.0), 36.2°(0.06), 42.3°(0.63), 42.7°(0.38), 49.6°(0.13), 50.5°(0.14), 52.6°(0.36), 62.0°(0.12), 67.5°(0.1), 69.0°(0.1), 70.0°(0.15), 70.3°(0.15), 76.9°(0.07), 77.9°(0.21), 82.0°(0.06).
Generate atomic structure descript... | JVASP-184015 | 4.23 4.23 6.12
90 90 90
Ga 0.000 -0.000 0.753
Ga 0.500 0.500 0.247
Cl 0.000 -0.000 0.303
Cl 0.500 0.500 0.697 |
Below is a description of a material. | The chemical formula is: TlZn.
The XRD pattern shows main peaks at: 19.0°(0.23), 29.4°(0.46), 35.3°(1.0), 38.6°(0.17), 49.2°(0.22), 52.2°(0.21), 56.0°(0.09), 61.0°(0.06), 64.5°(0.19), 66.7°(0.22), 67.6°(0.16), 74.5°(0.06), 87.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-127307 | 3.51 3.51 4.67
90 90 120
Tl 0.667 0.333 0.750
Zn 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Zn2As2O7.
The XRD pattern shows main peaks at: 17.1°(0.07), 20.8°(0.06), 28.2°(1.0), 29.2°(0.51), 34.6°(0.3), 37.3°(0.08), 37.7°(0.06), 38.8°(0.09), 42.6°(0.12), 46.7°(0.21), 52.2°(0.07), 55.1°(0.22), 56.4°(0.09), 59.2°(0.09), 59.8°(0.11), 60.6°(0.16), 65.5°(0.1), 66.4°(0.13), 67.1°(0.05), 69.8... | JVASP-49746 | 4.86 5.44 5.44
103 98 98
Zn 0.000 0.306 0.694
Zn 0.000 0.694 0.306
As 0.404 0.232 0.232
As 0.596 0.768 0.768
O 0.272 0.593 0.593
O 0.213 0.065 0.400
O 0.213 0.400 0.065
O 0.500 0.000 0.000
O 0.787 0.600 0.935
O 0.787 0.935 0.600
O 0.728 0.407 0.407 |
Below is a description of a material. | The chemical formula is: Mo3WSe2S6.
The XRD pattern shows main peaks at: 2.6°(1.0), 5.2°(0.06), 13.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28751 | 3.22 3.22 34.05
90 90 119
Mo 0.333 0.667 0.097
Mo 0.667 0.333 0.279
Mo 0.667 0.333 0.658
W 0.333 0.667 0.469
Se 0.667 0.333 0.418
Se 0.667 0.333 0.519
S 0.333 0.667 0.325
S 0.333 0.667 0.704
S 0.667 0.333 0.051
S 0.667 0.333 0.142
S 0.333 0.667 0.234
S 0.333 0.667 0.612 |
Below is a description of a material. | The chemical formula is: CeMg2.
The XRD pattern shows main peaks at: 9.9°(1.0), 19.9°(0.24), 26.4°(0.05), 32.2°(0.05), 33.8°(0.25), 34.7°(0.17), 36.2°(0.1), 36.7°(0.5), 40.3°(0.07), 42.1°(0.09), 63.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-165943 | 3.14 17.84 5.17
90 90 90
Ce 0.500 0.232 0.250
Ce 0.000 0.268 0.750
Ce -0.000 0.732 0.250
Ce 0.500 0.768 0.750
Mg -0.000 0.399 0.250
Mg -0.000 0.057 0.250
Mg 0.500 0.443 0.750
Mg 0.500 0.101 0.750
Mg 0.500 0.899 0.250
Mg 0.500 0.557 0.250
Mg 0.000 0.943 0.750
Mg 0.000 0.601 0.750 |
Below is a description of a material. | The chemical formula is: AcSe3.
The XRD pattern shows main peaks at: 16.3°(0.12), 22.0°(0.25), 29.0°(0.06), 32.1°(0.09), 33.0°(0.26), 33.4°(1.0), 41.4°(0.28), 53.9°(0.23), 59.2°(0.19), 60.0°(0.1), 70.4°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106932 | 6.24 6.24 6.24
139 139 59
Ac 0.000 0.000 0.000
Se 0.750 0.250 0.500
Se 0.250 0.750 0.500
Se 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ErSb.
The XRD pattern shows main peaks at: 33.7°(1.0), 48.4°(0.18), 60.3°(0.36), 70.9°(0.11), 80.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36278 | 3.76 3.76 3.76
90 90 90
Er 0.000 0.000 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiScSi2O6.
The XRD pattern shows main peaks at: 13.7°(0.26), 19.6°(0.48), 24.9°(0.46), 26.5°(0.18), 29.0°(1.0), 30.8°(0.68), 31.3°(0.13), 34.4°(0.16), 35.5°(0.3), 36.5°(0.26), 41.5°(0.3), 43.1°(0.09), 45.7°(0.13), 54.6°(0.11), 55.1°(0.24), 56.0°(0.16), 57.2°(0.09), 67.5°(0.2), 68.9°(0.12), 73.3... | JVASP-155119 | 6.66 6.66 5.38
75 75 85
Li 0.245 0.755 0.750
Li 0.755 0.245 0.250
Sc 0.106 0.894 0.250
Sc 0.894 0.106 0.750
Si 0.786 0.613 0.777
Si 0.387 0.214 0.723
Si 0.613 0.786 0.277
Si 0.214 0.387 0.223
O 0.378 0.877 0.353
O 0.622 0.123 0.647
O 0.369 0.343 0.951
O 0.657 0.631 0.549
O 0.631 0.657 0.049
O 0.343 0.369 0.451
O 0.037 ... |
Below is a description of a material. | The chemical formula is: SF2.
The XRD pattern shows main peaks at: 16.9°(0.7), 23.1°(0.52), 24.7°(1.0), 28.8°(0.27), 30.1°(0.3), 34.1°(0.35), 38.3°(0.23), 41.7°(0.25), 49.1°(0.29), 50.7°(0.12), 56.4°(0.06), 59.6°(0.12), 64.0°(0.05), 65.5°(0.15), 67.7°(0.09), 82.0°(0.08).
Generate atomic structure description with latti... | JVASP-114029 | 5.24 3.85 3.60
90 90 90
S 0.000 0.276 0.000
F 0.235 -0.002 0.000
F 0.765 -0.002 0.000 |
Below is a description of a material. | The chemical formula is: Ta4NiS8.
The XRD pattern shows main peaks at: 3.7°(0.23), 7.3°(0.07), 14.7°(1.0), 30.8°(0.56), 31.7°(0.08), 34.3°(0.85), 54.8°(0.27), 57.0°(0.18), 64.2°(0.07), 66.2°(0.13), 89.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137462 | 3.35 3.35 24.14
90 90 120
Ta 0.000 0.000 0.877
Ta 0.000 0.000 0.375
Ta 0.000 0.000 0.123
Ta 0.000 0.000 0.625
Ni 0.000 0.000 0.000
S 0.333 0.667 0.188
S 0.333 0.667 0.690
S 0.667 0.333 0.812
S 0.667 0.333 0.310
S 0.667 0.333 0.942
S 0.667 0.333 0.439
S 0.333 0.667 0.058
S 0.333 0.667 0.561 |
Below is a description of a material. | The chemical formula is: LiGePt2.
The XRD pattern shows main peaks at: 25.3°(0.06), 29.3°(0.54), 41.8°(1.0), 51.9°(0.16), 60.7°(0.17), 68.8°(0.2), 76.4°(0.38).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105795 | 4.32 4.32 4.32
60 60 60
Li 0.000 0.000 0.000
Ge 0.500 0.500 0.500
Pt 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Pr2CdNi2.
The XRD pattern shows main peaks at: 26.4°(0.17), 28.6°(0.11), 33.2°(0.7), 35.3°(1.0), 37.6°(0.48), 43.1°(0.08), 47.3°(0.2), 49.7°(0.18), 55.5°(0.19), 57.0°(0.17), 59.2°(0.07), 61.9°(0.21), 67.7°(0.16), 71.0°(0.12), 71.5°(0.07), 73.0°(0.05), 78.8°(0.05), 80.1°(0.09).
Generate atomic s... | JVASP-21747 | 7.56 7.56 3.85
90 90 90
Pr 0.322 0.822 0.500
Pr 0.822 0.678 0.500
Pr 0.178 0.322 0.500
Pr 0.678 0.178 0.500
Cd 0.000 0.000 0.000
Cd 0.500 0.500 0.000
Ni 0.384 0.116 0.000
Ni 0.884 0.384 0.000
Ni 0.116 0.616 0.000
Ni 0.616 0.884 0.000 |
Below is a description of a material. | The chemical formula is: Lu2O3.
The XRD pattern shows main peaks at: 29.0°(0.29), 31.3°(0.3), 33.0°(1.0), 43.2°(0.24), 51.4°(0.3), 56.8°(0.28), 61.4°(0.27), 62.5°(0.16), 69.3°(0.06), 80.1°(0.1), 85.0°(0.14), 87.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7771 | 3.56 3.56 5.72
90 90 119
Lu 0.667 0.333 0.249
Lu 0.333 0.667 0.751
O 0.667 0.333 0.646
O 0.333 0.667 0.354
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AgN2.
The XRD pattern shows main peaks at: 16.0°(1.0), 32.3°(0.42), 32.9°(0.25), 34.0°(0.69), 37.3°(0.13), 37.9°(0.13), 38.5°(0.14), 39.4°(0.44), 42.2°(0.1), 43.2°(0.18), 46.7°(0.16), 47.3°(0.06), 48.7°(0.1), 49.4°(0.08), 51.1°(0.09), 53.8°(0.06), 54.9°(0.1), 62.6°(0.09), 68.0°(0.11), 70.1°(0.0... | JVASP-136286 | 5.88 2.97 4.79
146 107 70
Ag 0.982 0.356 0.268
N 0.547 0.470 0.319
N 0.414 0.054 0.111 |
Below is a description of a material. | The chemical formula is: MgZnS2.
The XRD pattern shows main peaks at: 15.9°(0.16), 22.7°(0.12), 27.8°(1.0), 36.2°(0.06), 39.7°(0.06), 46.3°(0.61), 54.9°(0.35), 67.5°(0.08), 74.5°(0.15), 85.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102714 | 3.92 3.92 5.56
90 90 90
Mg 0.500 0.500 0.500
Zn 0.000 0.000 0.000
S 0.000 0.500 0.240
S 0.500 0.000 0.760 |
Below is a description of a material. | The chemical formula is: TaNbCu6S8.
The XRD pattern shows main peaks at: 11.4°(0.05), 16.1°(1.0), 22.9°(0.1), 28.2°(0.19), 32.6°(0.2), 36.6°(0.54), 46.8°(0.71), 49.8°(0.26), 55.5°(0.07), 58.2°(0.05), 60.8°(0.12), 68.4°(0.1), 70.8°(0.14), 80.1°(0.07), 86.9°(0.07).
Generate atomic structure description with lattice lengt... | JVASP-141401 | 7.76 7.76 5.49
90 90 90
Ta 0.500 0.500 0.000
Nb 0.000 0.000 0.000
Cu 0.249 0.751 0.000
Cu 0.751 0.249 0.000
Cu 0.249 0.249 0.000
Cu 0.751 0.751 0.000
Cu 0.000 0.000 0.500
Cu 0.500 0.500 0.500
S 0.500 0.255 0.755
S 0.000 0.754 0.754
S 0.500 0.745 0.755
S 0.000 0.246 0.754
S 0.754 0.000 0.246
S 0.255 0.500 0.245
S 0.246 ... |
Below is a description of a material. | The chemical formula is: TmTa3.
The XRD pattern shows main peaks at: 37.3°(1.0), 53.8°(0.18), 67.3°(0.36), 79.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37621 | 4.82 4.82 4.82
60 59 60
Tm 0.750 0.750 0.750
Ta 0.000 0.000 0.000
Ta 0.500 0.500 0.500
Ta 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Pm2ZnRu.
The XRD pattern shows main peaks at: 25.1°(0.07), 35.7°(1.0), 51.4°(0.18), 64.2°(0.36), 75.7°(0.11), 86.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42002 | 5.03 5.03 5.03
60 60 60
Pm 0.000 0.000 0.000
Pm 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: MgCl2.
The XRD pattern shows main peaks at: 18.3°(0.22), 18.8°(0.19), 23.9°(0.09), 24.3°(0.09), 28.2°(0.89), 28.5°(1.0), 29.6°(0.17), 33.8°(0.11), 34.9°(0.1), 45.5°(0.37), 46.4°(0.38), 48.9°(0.16), 49.8°(0.15), 51.7°(0.19), 56.9°(0.1), 57.4°(0.08), 58.3°(0.09), 58.9°(0.08), 61.5°(0.07).
Generat... | JVASP-29642 | 7.06 7.09 7.09
63 42 44
Mg 0.500 0.868 0.868
Mg 0.500 0.132 0.132
Cl 0.977 0.762 0.761
Cl 0.023 0.238 0.239
Cl 0.500 -0.000 0.500
Cl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ga3Ag.
The XRD pattern shows main peaks at: 37.9°(1.0), 54.7°(0.16), 68.5°(0.29), 81.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110785 | 4.75 4.75 4.75
60 60 60
Ga 0.250 0.250 0.250
Ga 0.750 0.750 0.750
Ga 0.500 0.500 0.500
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg6TiNi.
The XRD pattern shows main peaks at: 16.2°(0.18), 16.8°(0.35), 28.6°(0.06), 34.1°(0.41), 37.9°(1.0), 39.1°(0.77), 41.8°(0.07), 48.2°(0.08), 51.9°(0.24), 59.2°(0.12), 61.8°(0.08), 62.7°(0.06), 68.6°(0.12), 69.4°(0.14), 72.5°(0.13), 74.9°(0.26), 81.1°(0.06).
Generate atomic structure des... | JVASP-94106 | 6.25 6.25 4.74
90 90 122
Mg 0.175 0.844 0.250
Mg 0.656 0.325 0.250
Mg 0.672 0.828 0.250
Mg 0.320 0.664 0.750
Mg 0.836 0.180 0.750
Mg 0.833 0.667 0.750
Ti 0.309 0.191 0.750
Ni 0.199 0.301 0.250 |
Below is a description of a material. | The chemical formula is: YErIn2.
The XRD pattern shows main peaks at: 34.0°(1.0), 48.8°(0.16), 60.8°(0.33), 71.6°(0.1), 81.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37432 | 5.27 5.27 5.27
60 60 60
Y 0.750 0.750 0.750
Er 0.250 0.250 0.250
In 0.000 0.000 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrCu2Ge2.
The XRD pattern shows main peaks at: 17.3°(0.08), 29.5°(0.15), 33.5°(0.88), 34.3°(1.0), 42.1°(0.77), 46.3°(0.36), 49.1°(0.25), 54.9°(0.4), 61.1°(0.26), 62.2°(0.18), 73.7°(0.07), 88.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-15171 | 4.29 4.29 5.97
111 111 89
Sr 0.000 0.000 0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Ge 0.627 0.627 0.253
Ge 0.373 0.373 0.747 |
Below is a description of a material. | The chemical formula is: GaTcRuW.
The XRD pattern shows main peaks at: 25.0°(0.14), 41.4°(1.0), 49.0°(0.06), 60.0°(0.16), 75.6°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192656 | 4.36 4.36 4.36
60 60 60
Ru 0.250 0.250 0.250
Ga -0.000 -0.000 -0.000
Tc 0.750 0.750 0.750
W 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PrGa.
The XRD pattern shows main peaks at: 26.4°(0.23), 30.3°(1.0), 30.9°(0.54), 31.5°(0.26), 37.8°(0.56), 38.3°(0.24), 40.2°(0.28), 43.2°(0.23), 48.8°(0.1), 50.0°(0.08), 52.0°(0.12), 53.1°(0.12), 54.1°(0.22), 56.8°(0.14), 60.6°(0.27), 67.0°(0.11), 68.6°(0.1), 69.9°(0.13), 71.3°(0.1), 77.4°(0.1... | JVASP-16523 | 4.19 4.48 6.11
111 90 90
Pr 0.750 0.142 0.283
Pr 0.250 0.858 0.717
Ga 0.750 0.429 0.858
Ga 0.250 0.571 0.142 |
Below is a description of a material. | The chemical formula is: CaBeGe2.
The XRD pattern shows main peaks at: 13.9°(0.53), 25.7°(0.05), 29.4°(0.41), 36.7°(0.66), 38.4°(1.0), 39.5°(0.16), 42.6°(0.05), 50.5°(0.11), 52.9°(0.23), 55.0°(0.07), 57.5°(0.09), 61.7°(0.1), 67.3°(0.37), 70.6°(0.12), 76.1°(0.06), 78.1°(0.07), 82.3°(0.07), 89.6°(0.1).
Generate atomic st... | JVASP-73980 | 3.46 3.46 6.36
90 90 90
Ca 0.500 0.500 0.747
Be 0.000 0.000 0.415
Ge 0.000 0.000 0.055
Ge 0.500 0.500 0.283 |
Below is a description of a material. | The chemical formula is: YbZn.
The XRD pattern shows main peaks at: 25.0°(0.2), 35.7°(1.0), 44.1°(0.06), 51.4°(0.16), 58.0°(0.08), 64.1°(0.36), 75.6°(0.11), 86.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19939 | 3.56 3.56 3.56
90 90 90
Yb 0.000 0.000 0.000
Zn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Yb2CdBi.
The XRD pattern shows main peaks at: 32.9°(1.0), 47.2°(0.18), 58.7°(0.34), 69.0°(0.12), 78.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157084 | 5.44 5.44 5.44
60 60 60
Yb 0.000 0.000 0.000
Yb 0.500 0.500 0.500
Cd 0.750 0.750 0.750
Bi 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NaInSi2O6.
The XRD pattern shows main peaks at: 13.4°(0.96), 18.6°(0.22), 19.4°(0.4), 23.9°(0.25), 28.8°(1.0), 29.7°(0.51), 33.9°(0.35), 34.6°(0.44), 35.0°(0.49), 39.9°(0.19), 41.0°(0.26), 41.5°(0.19), 43.2°(0.15), 44.4°(0.1), 50.6°(0.17), 53.3°(0.12), 54.6°(0.21), 55.5°(0.1), 59.7°(0.12), 64.3... | JVASP-88251 | 5.43 6.80 6.80
85 77 77
Na 0.250 0.698 0.302
Na 0.750 0.302 0.698
In 0.250 0.105 0.895
In 0.750 0.895 0.105
Si 0.750 0.795 0.621
Si 0.750 0.379 0.205
Si 0.250 0.621 0.795
Si 0.250 0.205 0.379
O 0.520 0.663 0.638
O 0.154 0.799 0.961
O 0.324 0.396 0.890
O 0.346 0.039 0.201
O 0.176 0.110 0.604
O 0.654 0.961 0.799
O 0.846 ... |
Below is a description of a material. | The chemical formula is: Ge2Br.
The XRD pattern shows main peaks at: 14.4°(0.1), 20.6°(0.27), 25.3°(0.66), 27.8°(1.0), 29.1°(0.2), 34.8°(0.13), 35.9°(0.59), 37.9°(0.5), 40.7°(0.14), 41.9°(0.31), 44.3°(0.12), 46.0°(0.6), 49.3°(0.15), 51.1°(0.33), 53.1°(0.14), 57.5°(0.24), 63.7°(0.1), 69.6°(0.17), 73.6°(0.11), 79.5°(0.12... | JVASP-120900 | 6.14 3.21 4.31
90 90 90
Ge -0.141 0.000 -0.034
Ge 0.081 0.000 0.466
Br 0.460 0.000 -0.033 |
Below is a description of a material. | The chemical formula is: ErSi2.
The XRD pattern shows main peaks at: 23.0°(0.12), 25.0°(0.54), 34.2°(1.0), 44.0°(0.33), 46.9°(0.09), 50.2°(0.11), 51.3°(0.08), 53.9°(0.13), 56.9°(0.22), 66.3°(0.18), 69.8°(0.07), 72.0°(0.06), 74.6°(0.21), 78.8°(0.09), 80.9°(0.06), 88.4°(0.07).
Generate atomic structure description with l... | JVASP-20596 | 4.12 4.12 3.87
90 90 119
Er 0.000 0.000 0.000
Si 0.667 0.333 0.500
Si 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: ZnWO4.
The XRD pattern shows main peaks at: 15.3°(0.09), 18.9°(0.36), 23.6°(0.37), 24.4°(0.42), 30.3°(1.0), 30.5°(0.97), 31.0°(0.2), 36.0°(0.41), 38.3°(0.17), 41.0°(0.19), 48.3°(0.14), 50.0°(0.13), 51.3°(0.26), 53.4°(0.29), 53.7°(0.2), 61.2°(0.13), 61.7°(0.12), 64.2°(0.22), 64.5°(0.23), 67.6°(0... | JVASP-152534 | 5.77 4.70 4.97
89 90 90
Zn 0.678 0.500 0.250
Zn 0.322 0.500 0.750
W 0.181 -0.000 0.250
W 0.819 -0.000 0.750
O 0.894 0.783 0.435
O 0.894 0.217 0.065
O 0.106 0.217 0.565
O 0.106 0.783 0.935
O 0.376 0.743 0.403
O 0.376 0.257 0.097
O 0.624 0.257 0.597
O 0.624 0.743 0.903 |
Below is a description of a material. | The chemical formula is: TmZn.
The XRD pattern shows main peaks at: 19.7°(0.15), 29.8°(0.38), 36.0°(1.0), 40.1°(0.16), 50.7°(0.18), 52.8°(0.2), 57.0°(0.05), 65.6°(0.18), 68.3°(0.19), 70.2°(0.13), 76.3°(0.05), 89.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126791 | 3.47 3.47 4.50
90 90 120
Tm 0.667 0.333 0.750
Zn 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: DyErTe2.
The XRD pattern shows main peaks at: 29.2°(1.0), 41.7°(0.8), 51.7°(0.29), 60.5°(0.13), 68.5°(0.36), 76.2°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107344 | 4.33 4.33 6.13
90 90 90
Dy 0.000 0.000 0.000
Er 0.500 0.500 0.500
Te 0.000 0.000 0.500
Te 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: GaAu.
The XRD pattern shows main peaks at: 19.8°(0.08), 28.1°(0.53), 31.5°(0.13), 40.2°(1.0), 45.1°(0.18), 49.6°(0.23), 58.0°(0.09), 65.7°(0.19), 69.3°(0.12), 79.9°(0.16), 86.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18605 | 3.68 6.36 6.33
90 90 90
Ga 0.750 0.077 0.315
Ga 0.250 0.923 0.685
Ga 0.750 0.423 0.815
Ga 0.250 0.577 0.185
Au 0.750 0.691 0.493
Au 0.250 0.309 0.507
Au 0.750 0.809 0.993
Au 0.250 0.191 0.007 |
Below is a description of a material. | The chemical formula is: ZnNi.
The XRD pattern shows main peaks at: 43.3°(1.0), 47.5°(0.36), 55.9°(0.11), 69.4°(0.11), 76.3°(0.16), 85.4°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14713 | 3.29 3.83 3.83
90 90 90
Zn 0.500 0.000 0.500
Zn 0.500 0.500 0.000
Ni 0.000 0.000 0.000
Ni 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgP3.
The XRD pattern shows main peaks at: 15.2°(0.1), 22.2°(0.18), 26.0°(0.54), 30.6°(0.92), 36.4°(1.0), 37.1°(0.76), 42.0°(0.24), 43.9°(0.35), 45.3°(0.32), 48.2°(0.15), 50.6°(0.23), 52.3°(0.13), 54.0°(0.12), 55.0°(0.19), 57.8°(0.26), 62.8°(0.17), 66.6°(0.17), 76.1°(0.13), 77.6°(0.13), 80.1°(0... | JVASP-123589 | 3.20 4.01 6.07
85 105 90
Mg 0.349 0.015 0.697
P 0.640 0.054 0.281
P 0.100 0.429 0.201
P 0.911 0.502 0.821 |
Below is a description of a material. | The chemical formula is: Dy2GaCu3.
The XRD pattern shows main peaks at: 24.0°(0.43), 34.2°(0.27), 35.2°(1.0), 36.1°(0.78), 36.6°(0.33), 38.2°(0.1), 39.4°(0.08), 40.7°(0.12), 42.3°(0.97), 53.4°(0.15), 55.8°(0.17), 57.0°(0.17), 63.8°(0.05), 65.2°(0.06), 67.2°(0.15), 70.5°(0.14), 72.6°(0.11), 73.1°(0.09), 76.1°(0.08), 77.... | JVASP-108785 | 5.37 5.37 6.87
52 52 47
Dy 0.457 0.457 0.795
Dy 0.543 0.543 0.206
Ga 0.832 0.832 0.612
Cu 0.165 0.165 0.385
Cu 0.165 0.165 0.790
Cu 0.838 0.838 0.212 |
Below is a description of a material. | The chemical formula is: NbTlO.
The XRD pattern shows main peaks at: 14.7°(0.26), 23.5°(1.0), 27.5°(0.13), 28.2°(0.12), 29.7°(0.66), 30.1°(0.63), 37.7°(0.31), 38.5°(0.6), 42.7°(0.5), 48.1°(0.19), 48.9°(0.3), 49.8°(0.29), 56.8°(0.11), 57.8°(0.22), 65.6°(0.14), 67.0°(0.14), 67.7°(0.14), 70.0°(0.11), 70.7°(0.11), 75.3°(0.... | JVASP-135624 | 3.78 7.03 2.97
90 90 59
Nb -0.577 -0.074 0.000
Tl -0.071 0.428 0.000
O 0.860 -0.008 0.000 |
Below is a description of a material. | The chemical formula is: KVO2.
The XRD pattern shows main peaks at: 14.3°(0.23), 28.9°(0.34), 33.9°(0.69), 37.0°(0.07), 45.1°(1.0), 60.7°(0.25), 68.6°(0.13), 70.6°(0.22), 71.4°(0.06), 78.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-49990 | 3.05 3.05 6.18
89 90 119
K -0.000 0.000 0.500
V 1.000 0.000 0.000
O 0.333 0.666 0.175
O 0.667 0.334 0.825 |
Below is a description of a material. | The chemical formula is: BaTiO3.
The XRD pattern shows main peaks at: 21.5°(0.1), 22.2°(0.18), 31.1°(1.0), 31.6°(0.48), 38.6°(0.34), 43.8°(0.16), 45.3°(0.33), 49.7°(0.05), 55.0°(0.18), 56.0°(0.36), 64.9°(0.19), 66.0°(0.1), 72.6°(0.09), 75.0°(0.08), 79.1°(0.08), 82.6°(0.09).
Generate atomic structure description with la... | JVASP-7760 | 4.00 4.00 4.13
90 90 90
Ba 0.500 0.500 0.583
Ti 0.000 0.000 0.101
O 0.000 0.500 0.063
O 0.500 0.000 0.063
O 0.000 0.000 0.548 |
Below is a description of a material. | The chemical formula is: CuI.
The XRD pattern shows main peaks at: 25.5°(1.0), 29.5°(0.07), 42.3°(0.58), 50.0°(0.29), 67.5°(0.09), 77.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-164680 | 4.28 17.10 7.41
29 54 59
Cu 0.805 -0.000 0.732
Cu 0.805 0.250 0.732
Cu 0.805 0.500 0.732
Cu 0.805 0.750 0.732
I 0.055 0.000 0.982
I 0.055 0.250 0.982
I 0.055 0.500 0.982
I 0.055 0.750 0.982 |
Below is a description of a material. | The chemical formula is: NaTaO.
The XRD pattern shows main peaks at: 12.4°(1.0), 24.9°(0.29), 30.2°(0.54), 32.7°(0.4), 37.7°(0.08), 39.5°(0.37), 43.2°(0.19), 45.1°(0.17), 49.0°(0.15), 50.5°(0.18), 58.7°(0.09), 60.4°(0.12), 62.8°(0.06), 64.3°(0.06), 68.6°(0.07), 69.1°(0.08), 71.2°(0.08), 72.6°(0.09), 76.8°(0.11), 83.5°(... | JVASP-139615 | 2.96 2.96 7.16
90 90 90
Na 0.000 0.000 0.446
Ta 0.000 0.000 -0.010
O 0.000 0.000 0.744 |
Below is a description of a material. | The chemical formula is: TmSi2Ir2.
The XRD pattern shows main peaks at: 18.0°(0.18), 23.6°(0.15), 31.0°(0.06), 35.0°(0.16), 36.0°(1.0), 44.4°(0.34), 48.5°(0.11), 51.4°(0.05), 57.7°(0.07), 58.7°(0.19), 64.6°(0.11), 65.2°(0.18), 76.2°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-156010 | 5.72 5.72 5.72
138 138 60
Tm 0.000 0.000 0.000
Si 0.380 0.380 0.000
Si 0.620 0.620 -0.000
Ir 0.750 0.250 0.500
Ir 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Fe6O7F5.
The XRD pattern shows main peaks at: 27.7°(0.96), 28.1°(1.0), 36.3°(0.99), 39.7°(0.08), 41.7°(0.16), 45.1°(0.05), 54.8°(0.34), 55.2°(0.4), 57.2°(0.17), 58.1°(0.15), 62.9°(0.16), 70.2°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-112440 | 4.51 7.46 5.41
94 89 90
Fe 0.550 0.652 0.184
Fe 0.494 0.005 0.502
Fe 0.512 0.341 0.815
Fe 0.973 0.689 0.673
Fe 0.968 0.316 0.355
Fe 0.001 0.985 -0.006
O 0.200 0.904 0.701
O 0.301 0.235 0.531
O 0.701 0.421 0.124
O 0.808 0.087 0.284
O 0.801 0.771 0.963
O 0.796 0.455 0.634
O 0.695 0.779 0.475
F 0.216 0.221 0.024
F 0.726 0... |
Below is a description of a material. | The chemical formula is: LiCuO.
The XRD pattern shows main peaks at: 28.1°(0.87), 28.7°(1.0), 40.6°(0.82), 50.9°(0.46), 58.0°(0.09), 59.1°(0.53), 66.0°(0.17), 67.0°(0.15), 80.8°(0.2), 87.9°(0.08), 88.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138732 | 3.59 3.59 3.18
90 90 120
Li 0.333 0.667 0.000
Cu 0.000 0.000 0.000
O 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Li2MnN2.
The XRD pattern shows main peaks at: 16.8°(1.0), 34.3°(0.21), 38.4°(0.71), 49.0°(0.53), 61.5°(0.2), 63.7°(0.12), 64.2°(0.13), 74.9°(0.06), 81.6°(0.06), 82.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109809 | 3.02 3.02 5.29
90 89 120
Li 0.667 0.333 0.359
Li 0.333 0.667 0.641
Mn -0.000 0.000 0.000
N 0.667 0.333 0.796
N 0.333 0.667 0.204 |
Below is a description of a material. | The chemical formula is: ErMg3.
The XRD pattern shows main peaks at: 15.5°(0.38), 23.2°(1.0), 27.0°(0.42), 31.2°(0.23), 34.8°(0.24), 35.9°(0.92), 44.5°(0.21), 45.4°(0.32), 47.5°(0.17), 55.6°(0.19), 60.3°(0.1), 63.1°(0.17), 67.3°(0.19), 67.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-105760 | 6.61 6.61 5.16
90 90 120
Er 0.667 0.333 0.250
Er 0.333 0.667 0.750
Mg 0.164 0.329 0.250
Mg 0.164 0.836 0.250
Mg 0.671 0.836 0.250
Mg 0.329 0.164 0.750
Mg 0.836 0.164 0.750
Mg 0.836 0.671 0.750 |
Below is a description of a material. | The chemical formula is: Li2ZrN2.
The XRD pattern shows main peaks at: 16.3°(1.0), 31.4°(0.4), 33.0°(0.1), 35.6°(0.99), 46.2°(0.55), 56.0°(0.22), 58.7°(0.19), 60.7°(0.2), 66.5°(0.09), 68.1°(0.14), 75.4°(0.11), 78.0°(0.08), 78.7°(0.08), 87.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-85904 | 3.29 3.29 5.43
89 89 119
Li 0.333 0.667 0.615
Li 0.667 0.333 0.385
Zr 0.000 0.000 0.000
N 0.333 0.667 0.225
N 0.667 0.333 0.775 |
Below is a description of a material. | The chemical formula is: Ca2N.
The XRD pattern shows main peaks at: 14.0°(0.82), 28.2°(0.21), 30.3°(0.92), 34.6°(1.0), 37.5°(0.09), 42.9°(0.07), 44.4°(0.32), 48.3°(0.21), 51.0°(0.37), 60.5°(0.11), 61.5°(0.16), 63.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194022 | 6.65 6.65 6.65
31 31 31
Ca 0.733 0.733 0.733
Ca 0.267 0.267 0.267
N -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba2LaTi.
The XRD pattern shows main peaks at: 18.2°(0.08), 30.0°(1.0), 42.9°(0.18), 53.3°(0.35), 62.3°(0.11), 70.7°(0.17), 86.4°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69269 | 5.96 5.96 5.96
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
La 0.000 0.000 0.000
Ti 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiTiAlO4.
The XRD pattern shows main peaks at: 18.5°(0.48), 18.9°(1.0), 21.6°(0.06), 35.9°(0.35), 44.0°(0.89), 58.7°(0.11), 63.0°(0.1), 64.0°(0.4), 65.1°(0.09), 80.0°(0.07), 81.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171659 | 5.82 5.82 5.82
90 58 119
Li 0.500 0.757 0.743
Li -0.000 0.993 0.007
Ti 0.250 0.875 0.375
Ti 0.750 0.375 0.375
Al 0.750 0.375 0.875
Al 0.250 0.375 0.375
O 0.270 0.137 0.593
O 0.730 0.137 0.133
O 0.717 0.580 0.137
O 0.283 0.146 0.137
O 0.230 0.613 0.157
O 0.770 0.613 0.617
O 0.783 0.170 0.613
O 0.217 0.604 0.613 |
Below is a description of a material. | The chemical formula is: BiIO.
The XRD pattern shows main peaks at: 20.2°(0.71), 25.0°(0.72), 32.3°(0.52), 35.3°(0.9), 41.0°(0.13), 43.7°(1.0), 48.6°(0.17), 51.2°(0.1), 55.6°(0.12), 63.3°(0.16), 63.7°(0.29), 69.2°(0.25), 74.6°(0.1), 80.1°(0.17), 85.7°(0.15).
Generate atomic structure description with lattice lengths, a... | JVASP-138238 | 5.09 5.09 3.57
90 90 119
Bi 0.000 0.000 0.000
I 0.333 0.667 0.000
O 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: MgFeSiO5.
The XRD pattern shows main peaks at: 18.7°(0.81), 19.6°(0.41), 28.4°(1.0), 29.9°(0.53), 32.3°(0.8), 35.0°(0.59), 36.5°(0.38), 36.8°(0.41), 41.0°(0.17), 48.7°(0.23), 50.1°(0.18), 53.3°(0.16), 55.9°(0.21), 56.7°(0.18), 58.4°(0.18), 59.6°(0.16), 61.4°(0.2), 63.2°(0.26), 63.7°(0.24), 71.9... | JVASP-9509 | 5.03 5.37 6.71
105 100 109
Mg 0.364 0.216 0.779
Mg 0.645 0.774 0.250
Fe 0.004 0.495 0.515
Fe 0.004 0.495 0.015
Si 0.700 0.818 0.758
Si 0.308 0.172 0.271
O 0.703 0.632 0.921
O 0.991 0.851 0.668
O 0.305 0.358 0.108
O 0.018 0.139 0.361
O 0.598 0.291 0.487
O 0.305 0.866 0.135
O 0.411 0.698 0.542
O 0.704 0.124 0.895
O 0.898... |
Below is a description of a material. | The chemical formula is: GaO3.
The XRD pattern shows main peaks at: 19.8°(1.0), 30.5°(0.88), 32.2°(0.53), 32.7°(0.37), 33.3°(0.82), 35.2°(0.34), 40.1°(0.64), 42.9°(0.11), 44.0°(0.12), 47.1°(0.23), 49.2°(0.16), 53.3°(0.19), 54.0°(0.22), 54.6°(0.12), 56.8°(0.22), 57.5°(0.17), 58.8°(0.14), 59.9°(0.24), 61.3°(0.13), 75.2°(... | JVASP-180025 | 4.89 3.22 3.44
58 81 67
Ga 0.419 0.658 0.258
O -0.028 0.084 0.115
O 0.868 0.355 0.333
O 0.434 -0.042 0.605 |
Below is a description of a material. | The chemical formula is: Li2NbF3.
The XRD pattern shows main peaks at: 10.2°(1.0), 20.4°(0.24), 30.8°(0.07), 37.0°(0.23), 38.5°(0.31), 41.5°(0.12), 42.6°(0.67), 48.9°(0.18), 56.8°(0.16), 66.6°(0.1), 81.7°(0.08), 82.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178832 | 2.81 2.81 8.70
90 90 120
Li 0.333 0.667 0.134
Li 0.667 0.333 0.866
Nb -0.000 -0.000 0.500
F 0.333 0.667 0.735
F 0.667 0.333 0.265
F -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: ZrMnO4.
The XRD pattern shows main peaks at: 19.1°(0.13), 26.8°(0.86), 27.3°(0.72), 34.7°(1.0), 38.7°(0.23), 40.1°(0.21), 43.1°(0.1), 52.6°(0.49), 53.2°(0.43), 55.3°(0.11), 56.4°(0.14), 59.6°(0.13), 62.7°(0.08), 63.5°(0.11), 66.5°(0.12), 67.5°(0.29), 73.3°(0.08), 79.8°(0.08), 81.3°(0.06), 86.6°... | JVASP-183292 | 4.66 4.66 3.10
90 90 91
Zr -0.000 -0.000 0.500
Mn 0.500 0.500 0.000
O 0.210 0.210 0.000
O 0.320 0.680 0.500
O 0.680 0.320 0.500
O 0.790 0.790 0.000 |
Below is a description of a material. | The chemical formula is: BaF.
The XRD pattern shows main peaks at: 20.3°(0.69), 23.3°(1.0), 31.1°(0.93), 41.0°(0.35), 46.2°(0.47), 48.0°(0.29), 52.4°(0.21), 59.6°(0.21), 64.9°(0.12), 68.6°(0.19), 69.1°(0.1), 78.3°(0.09), 78.8°(0.09), 79.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-138684 | 4.40 4.40 4.37
90 90 120
Ba 0.000 0.000 0.000
F 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: CeSe2.
The XRD pattern shows main peaks at: 12.3°(1.0), 20.1°(0.31), 24.7°(0.17), 31.2°(0.33), 35.2°(0.15), 40.9°(0.21), 42.8°(0.27), 46.0°(0.06), 48.3°(0.07), 52.3°(0.16), 55.0°(0.08), 68.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94319 | 8.83 8.83 8.83
60 60 60
Ce 0.750 0.750 0.750
Ce 0.000 0.000 0.000
Se 0.375 0.875 0.875
Se 0.875 0.375 0.875
Se 0.875 0.875 0.375
Se 0.875 0.875 0.875 |
Below is a description of a material. | The chemical formula is: SrGe7.
The XRD pattern shows main peaks at: 25.1°(1.0), 35.8°(0.1), 41.6°(0.69), 44.2°(0.05), 49.2°(0.42), 60.3°(0.09), 64.3°(0.06), 66.3°(0.12), 75.9°(0.16), 81.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127451 | 6.14 6.14 6.14
90 90 90
Sr 0.500 0.500 0.500
Ge 0.785 0.785 0.785
Ge 0.500 0.000 0.000
Ge 0.785 0.215 0.215
Ge 0.000 0.500 0.000
Ge 0.215 0.785 0.215
Ge 0.000 0.000 0.500
Ge 0.215 0.215 0.785 |
Below is a description of a material. | The chemical formula is: DyInPt.
The XRD pattern shows main peaks at: 23.3°(0.12), 26.7°(0.1), 32.9°(0.69), 35.7°(1.0), 40.9°(0.45), 43.0°(0.33), 47.0°(0.22), 49.6°(0.09), 55.4°(0.08), 60.5°(0.13), 64.0°(0.26), 66.0°(0.3), 75.9°(0.12), 79.9°(0.09), 83.5°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-8531 | 7.65 7.65 3.86
90 90 120
Dy 0.595 0.000 0.500
Dy 0.405 0.405 0.500
Dy 0.000 0.595 0.500
In 0.739 0.739 0.000
In 0.000 0.261 0.000
In 0.261 0.000 0.000
Pt 0.333 0.667 0.000
Pt 0.667 0.333 0.000
Pt 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: YbSbPd.
The XRD pattern shows main peaks at: 23.3°(0.21), 27.0°(0.27), 38.6°(1.0), 45.6°(0.09), 47.7°(0.07), 55.7°(0.17), 63.0°(0.1), 69.8°(0.35), 82.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-54948 | 4.67 4.67 4.67
60 60 60
Yb 0.000 0.000 0.000
Sb 0.500 0.500 0.500
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: MnGeAs2.
The XRD pattern shows main peaks at: 26.9°(1.0), 44.7°(0.49), 52.7°(0.29), 53.2°(0.14), 64.7°(0.08), 71.8°(0.1), 82.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110492 | 7.01 7.01 7.01
131 131 71
Mn 0.250 0.750 0.500
Mn 0.500 0.500 -0.000
Ge 0.750 0.250 0.500
Ge 0.000 0.000 0.000
As 0.138 0.125 0.513
As 0.612 0.625 0.487
As 0.875 0.388 0.013
As 0.375 0.862 -0.013 |
Below is a description of a material. | The chemical formula is: FeOF.
The XRD pattern shows main peaks at: 27.5°(1.0), 35.8°(0.62), 39.3°(0.05), 41.0°(0.21), 45.3°(0.06), 54.1°(0.48), 56.7°(0.17), 64.2°(0.05), 68.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143253 | 4.58 4.60 8.99
90 90 90
Fe 0.958 0.279 0.580
Fe 0.021 0.223 0.254
Fe 0.011 0.208 0.915
Fe 0.521 0.777 0.746
Fe 0.458 0.721 0.420
Fe 0.511 0.792 0.085
O 0.177 0.437 0.418
O 0.677 0.563 0.582
O 0.299 0.929 0.257
O 0.331 0.951 0.910
O 0.799 0.071 0.743
O 0.831 0.049 0.090
F 0.761 0.025 0.417
F 0.261 0.975 0.583
F 0.728 0.... |
Below is a description of a material. | The chemical formula is: Sc2Te3.
The XRD pattern shows main peaks at: 26.5°(0.68), 30.6°(1.0), 43.9°(0.61), 52.0°(0.27), 54.4°(0.14), 63.8°(0.08), 72.4°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-95294 | 7.15 7.15 13.03
100 100 109
Sc 0.207 0.957 0.915
Sc 0.043 0.793 0.585
Sc 0.793 0.043 0.085
Sc 0.957 0.207 0.415
Sc 0.876 0.626 0.251
Sc 0.374 0.124 0.249
Sc 0.124 0.374 0.749
Sc 0.626 0.876 0.751
Te 0.293 0.541 0.583
Te 0.958 0.209 0.917
Te 0.541 0.293 0.083
Te 0.209 0.958 0.417
Te 0.707 0.459 0.417
Te 0.871 0.621 0.75... |
Below is a description of a material. | The chemical formula is: Sc2GeB2Ir5.
The XRD pattern shows main peaks at: 21.4°(0.31), 28.1°(0.85), 30.4°(0.3), 34.8°(0.45), 35.6°(0.46), 38.8°(0.17), 39.5°(0.26), 40.0°(0.73), 41.9°(1.0), 43.6°(0.43), 45.3°(0.55), 48.6°(0.12), 49.6°(0.43), 52.6°(0.21), 58.1°(0.24), 69.5°(0.13), 71.5°(0.17), 72.9°(0.22), 75.3°(0.19), 7... | JVASP-170334 | 3.18 9.29 9.29
90 90 90
Sc -0.000 0.175 0.675
Sc 0.000 0.825 0.325
Sc 0.000 0.325 0.175
Sc -0.000 0.675 0.825
Ge -0.000 0.000 0.000
Ge -0.000 0.500 0.500
B -0.000 0.624 0.124
B 0.000 0.376 0.876
B 0.000 0.876 0.624
B -0.000 0.124 0.376
Ir 0.500 0.071 0.215
Ir 0.500 0.929 0.785
Ir 0.500 0.785 0.071
Ir 0.500 0.429 0.715
... |
Below is a description of a material. | The chemical formula is: NdGa2Au2.
The XRD pattern shows main peaks at: 22.1°(0.33), 29.4°(0.63), 31.5°(1.0), 33.5°(0.56), 42.1°(0.77), 43.6°(0.45), 45.0°(0.52), 53.5°(0.5), 61.1°(0.24), 63.4°(0.39), 65.6°(0.09), 69.2°(0.12), 70.3°(0.11), 78.0°(0.16), 79.0°(0.11), 81.0°(0.2).
Generate atomic structure description with ... | JVASP-155593 | 4.29 4.29 6.45
109 109 90
Nd 0.000 0.000 0.000
Ga 0.750 0.250 0.500
Ga 0.250 0.750 0.500
Au 0.619 0.619 0.239
Au 0.381 0.381 0.761 |
Below is a description of a material. | The chemical formula is: HfZn.
The XRD pattern shows main peaks at: 18.2°(0.28), 34.8°(0.37), 36.9°(0.28), 39.5°(1.0), 51.6°(0.24), 62.4°(0.17), 65.6°(0.06), 68.3°(0.2), 74.7°(0.2), 76.4°(0.16), 85.1°(0.06), 88.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-131391 | 2.98 2.98 4.87
90 90 120
Hf 0.333 0.667 0.750
Zn 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Dy7Rh3.
The XRD pattern shows main peaks at: 31.1°(0.43), 31.7°(1.0), 35.2°(0.51), 36.3°(0.42), 37.0°(0.31), 49.7°(0.11), 55.7°(0.23), 56.3°(0.22), 56.7°(0.24), 60.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173492 | 6.12 9.73 9.73
119 90 90
Dy 0.461 0.333 0.667
Dy 0.961 0.667 0.333
Dy 0.256 0.123 0.877
Dy 0.256 0.753 0.876
Dy 0.256 0.124 0.247
Dy 0.756 0.877 0.123
Dy 0.756 0.247 0.124
Dy 0.756 0.876 0.753
Dy 0.453 0.541 0.459
Dy 0.453 0.918 0.459
Dy 0.453 0.541 0.082
Dy 0.953 0.459 0.541
Dy 0.953 0.082 0.541
Dy 0.953 0.459 0.918
R... |
Below is a description of a material. | The chemical formula is: NbFeB.
The XRD pattern shows main peaks at: 28.0°(0.49), 41.5°(1.0), 49.6°(0.4), 57.9°(0.06), 62.5°(0.06), 66.6°(0.25), 69.8°(0.07), 83.6°(0.18), 87.4°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14907 | 6.37 6.37 2.97
90 90 120
Nb -0.000 0.333 0.000
Nb 0.333 -0.000 0.000
Nb 0.667 0.667 0.000
Fe 0.333 0.333 0.500
Fe 0.667 0.000 0.500
Fe 0.000 0.667 0.500
B 0.000 0.000 0.500
B 0.667 0.333 0.500
B 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Cd2AgPd.
The XRD pattern shows main peaks at: 38.4°(1.0), 55.4°(0.17), 69.4°(0.34), 82.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179743 | 4.69 4.69 4.69
60 60 60
Cd 0.250 0.250 0.250
Cd 0.750 0.750 0.750
Ag 0.500 0.500 0.500
Pd -0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnBe2Tl.
The XRD pattern shows main peaks at: 21.7°(0.22), 27.7°(1.0), 36.2°(0.13), 41.9°(0.35), 42.6°(0.6), 44.2°(0.12), 52.2°(0.16), 57.1°(0.07), 58.4°(0.07), 60.1°(0.24), 62.5°(0.11), 69.0°(0.15), 70.7°(0.13), 76.9°(0.05), 80.2°(0.09), 85.7°(0.09).
Generate atomic structure description with ... | JVASP-70061 | 4.79 4.79 4.79
137 137 62
Mn 0.500 0.500 0.000
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Tl 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: K3ReMoO8.
The XRD pattern shows main peaks at: 12.5°(0.1), 17.5°(0.77), 19.0°(0.28), 23.9°(0.42), 25.1°(0.17), 27.0°(0.95), 29.7°(1.0), 34.1°(0.12), 34.7°(0.12), 40.6°(0.46), 46.0°(0.28), 51.1°(0.31), 52.8°(0.18), 61.7°(0.18).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-169046 | 6.01 6.01 7.90
67 67 59
K 0.300 0.300 0.099
K 0.694 0.694 0.919
K 0.506 0.506 0.482
Re 0.095 0.095 0.714
Mo 0.904 0.904 0.289
O 0.820 0.820 0.540
O 0.178 0.178 0.467
O 0.773 0.253 0.201
O 0.253 0.773 0.201
O 0.227 0.749 0.796
O 0.749 0.227 0.796
O 0.773 0.773 0.201
O 0.227 0.227 0.796 |
Below is a description of a material. | The chemical formula is: LaPt5.
The XRD pattern shows main peaks at: 18.8°(0.4), 27.6°(0.1), 32.8°(0.18), 38.1°(0.32), 38.8°(1.0), 40.7°(0.38), 43.4°(0.65), 45.2°(0.08), 53.2°(0.09), 56.9°(0.18), 62.6°(0.28), 68.8°(0.24), 72.7°(0.17), 75.9°(0.13), 83.1°(0.29), 85.0°(0.09).
Generate atomic structure description with lat... | JVASP-86360 | 4.44 5.46 5.46
120 90 90
La 0.000 -0.000 0.000
Pt 0.000 0.333 0.667
Pt 0.000 0.667 0.333
Pt 0.500 0.500 -0.000
Pt 0.500 0.500 0.500
Pt 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: K2Sn.
The XRD pattern shows main peaks at: 18.1°(0.77), 29.8°(1.0), 35.1°(0.46), 42.6°(0.17), 46.7°(0.17), 52.9°(0.37), 61.9°(0.08), 70.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35231 | 6.00 6.00 6.00
59 59 59
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LuAgO2.
The XRD pattern shows main peaks at: 14.2°(0.15), 28.7°(0.37), 31.9°(1.0), 36.1°(0.55), 49.9°(0.32), 54.0°(0.25), 58.6°(0.19), 62.3°(0.25), 64.1°(0.12), 66.7°(0.09), 76.6°(0.08), 78.9°(0.06), 83.8°(0.07), 84.5°(0.11).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-35686 | 3.39 3.39 6.52
74 74 59
Lu 0.500 0.500 0.500
Ag 0.000 0.000 0.000
O 0.889 0.889 0.333
O 0.111 0.111 0.667 |
Below is a description of a material. | The chemical formula is: PrMo.
The XRD pattern shows main peaks at: 35.4°(1.0), 50.9°(0.18), 63.5°(0.37), 74.8°(0.12), 85.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127501 | 3.59 3.59 3.59
90 90 90
Pr 0.000 0.000 0.000
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgV4O10.
The XRD pattern shows main peaks at: 7.8°(0.14), 15.7°(0.06), 17.7°(1.0), 19.4°(0.09), 23.7°(0.11), 26.1°(0.35), 27.3°(0.4), 29.7°(0.31), 31.6°(0.18), 35.5°(0.19), 36.5°(0.12), 41.5°(0.08), 43.4°(0.07), 50.2°(0.17), 52.1°(0.06), 53.7°(0.07), 59.4°(0.07), 60.6°(0.1), 62.3°(0.11).
Genera... | JVASP-30646 | 3.63 5.32 11.31
90 90 70
Mg 0.379 0.219 0.750
V 0.284 0.410 0.101
V 0.691 0.597 0.901
V 0.691 0.597 0.599
V 0.284 0.410 0.399
O 0.791 0.397 0.750
O 0.223 0.533 0.250
O 0.733 0.513 0.065
O 0.248 0.482 0.917
O 0.733 0.513 0.435
O 0.248 0.482 0.583
O 0.441 0.092 0.384
O 0.531 0.920 0.629
O 0.531 0.920 0.871
O 0.441 0.092 ... |
Below is a description of a material. | The chemical formula is: ZrGaCo.
The XRD pattern shows main peaks at: 37.2°(1.0), 39.9°(0.47), 40.3°(0.76), 45.5°(0.36), 48.5°(0.18), 54.2°(0.19), 55.4°(0.11), 62.4°(0.14), 69.4°(0.17), 73.4°(0.16), 74.7°(0.28), 81.3°(0.07), 86.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-150592 | 6.90 6.90 3.38
90 90 120
Zr 0.596 -0.000 0.500
Zr -0.000 0.596 0.500
Zr 0.404 0.404 0.500
Ga 0.261 -0.000 0.000
Ga -0.000 0.261 0.000
Ga 0.739 0.739 0.000
Co 0.333 0.667 0.000
Co 0.667 0.333 0.000
Co 1.000 1.000 0.500 |
Below is a description of a material. | The chemical formula is: Nb2SiC.
The XRD pattern shows main peaks at: 14.3°(0.14), 28.8°(0.11), 31.8°(0.22), 32.6°(0.23), 38.7°(1.0), 43.4°(0.1), 56.6°(0.23), 64.7°(0.07), 70.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193111 | 3.25 3.25 12.38
90 90 119
C 0.000 0.000 -0.000
C 0.000 0.000 0.500
Nb 0.667 0.333 0.903
Nb 0.667 0.333 0.597
Nb 0.333 0.667 0.403
Nb 0.333 0.667 0.097
Si 0.667 0.333 0.250
Si 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: LiB.
The XRD pattern shows main peaks at: 21.3°(1.0), 43.5°(0.25), 44.8°(0.12), 47.2°(0.07), 57.3°(0.05), 60.4°(0.07), 77.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105282 | 4.45 4.45 4.45
139 100 92
Li 0.500 -0.000 0.500
Li 0.000 0.500 0.500
B 0.973 0.750 0.223
B 0.027 0.250 0.777 |
Below is a description of a material. | The chemical formula is: Sc2NiRh.
The XRD pattern shows main peaks at: 24.1°(0.06), 27.9°(0.12), 39.9°(1.0), 57.8°(0.15), 72.5°(0.32), 86.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39133 | 4.52 4.52 4.52
60 60 60
Sc 0.000 0.000 0.000
Sc 0.500 0.500 0.500
Ni 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Na2CuAs.
The XRD pattern shows main peaks at: 15.9°(0.49), 20.2°(1.0), 23.1°(0.73), 33.0°(0.33), 36.5°(0.15), 37.2°(0.78), 37.5°(0.53), 39.1°(0.37), 41.0°(0.21), 42.3°(0.54), 42.7°(0.26), 47.3°(0.59), 55.3°(0.23), 60.4°(0.27), 62.5°(0.16), 63.4°(0.1), 64.8°(0.11), 67.4°(0.11), 76.2°(0.1), 79.2°... | JVASP-3312 | 5.32 5.68 5.68
101 90 90
Na 0.250 0.029 0.678
Na 0.750 0.971 0.322
Na 0.750 0.322 0.971
Na 0.250 0.678 0.029
Cu 0.500 0.500 0.500
Cu 0.000 0.500 0.500
As 0.250 0.228 0.228
As 0.750 0.772 0.772 |
Below is a description of a material. | The chemical formula is: PbS.
The XRD pattern shows main peaks at: 22.7°(0.5), 25.6°(0.8), 30.2°(0.51), 30.8°(1.0), 31.3°(0.23), 37.7°(0.42), 42.0°(0.21), 43.5°(0.18), 44.0°(0.1), 48.2°(0.15), 49.1°(0.35), 51.2°(0.27), 52.6°(0.21), 53.2°(0.12), 53.9°(0.2), 62.1°(0.13), 69.2°(0.12), 69.8°(0.1), 70.6°(0.17), 79.6°(0.14).... | JVASP-28369 | 4.16 4.31 6.27
90 70 90
Pb 0.129 0.750 0.743
Pb 0.871 0.250 0.257
S 0.358 0.750 0.283
S 0.642 0.250 0.717 |
Below is a description of a material. | The chemical formula is: YCu.
The XRD pattern shows main peaks at: 27.1°(0.39), 36.6°(1.0), 47.9°(0.29), 49.4°(0.09), 57.3°(0.08), 61.7°(0.2), 71.2°(0.15), 81.7°(0.18), 84.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123281 | 3.80 3.80 3.69
90 90 120
Y 0.333 0.667 0.250
Cu 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: CaYS2.
The XRD pattern shows main peaks at: 13.6°(0.17), 26.6°(0.1), 27.8°(0.16), 32.0°(1.0), 45.7°(0.38), 46.2°(0.37), 56.5°(0.07), 57.3°(0.18), 67.0°(0.11), 75.9°(0.15), 76.6°(0.16), 85.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188780 | 3.93 3.93 6.90
73 73 60
Ca 0.500 0.500 0.500
Y -0.000 0.000 -0.000
S 0.749 0.749 0.754
S 0.251 0.251 0.246 |
Below is a description of a material. | The chemical formula is: TaGeO.
The XRD pattern shows main peaks at: 13.7°(1.0), 18.6°(0.51), 19.4°(0.19), 23.2°(0.61), 27.0°(0.18), 27.5°(0.26), 30.9°(0.31), 33.5°(0.32), 36.3°(0.43), 37.8°(0.09), 39.3°(0.1), 40.4°(0.13), 43.9°(0.16), 46.2°(0.11), 47.4°(0.13), 48.4°(0.15), 49.6°(0.16), 54.6°(0.12), 59.5°(0.08), 62.2°(... | JVASP-134922 | 6.48 6.48 4.76
90 90 90
Ta 0.003 0.349 0.000
Ge -0.068 -0.082 0.000
O 0.272 0.004 0.000 |
Below is a description of a material. | The chemical formula is: YFeO3.
The XRD pattern shows main peaks at: 26.3°(0.21), 32.0°(0.2), 33.7°(1.0), 34.5°(0.26), 40.1°(0.06), 43.5°(0.08), 47.8°(0.21), 49.0°(0.2), 49.4°(0.12), 53.7°(0.16), 58.1°(0.06), 59.7°(0.08), 61.3°(0.37), 65.1°(0.08), 70.8°(0.1).
Generate atomic structure description with lattice lengths, ... | JVASP-141540 | 5.20 5.59 7.44
90 90 90
Y 0.521 0.425 0.250
Y 0.021 0.075 0.750
Y 0.979 0.925 0.250
Y 0.479 0.575 0.750
Fe 0.500 0.000 0.000
Fe 0.000 0.500 0.000
Fe 0.000 0.500 0.500
Fe 0.500 0.000 0.500
O 0.101 0.528 0.250
O 0.601 0.972 0.750
O 0.193 0.804 0.551
O 0.693 0.696 0.449
O 0.307 0.304 0.949
O 0.693 0.696 0.051
O 0.807 0.19... |
Below is a description of a material. | The chemical formula is: YEr.
The XRD pattern shows main peaks at: 15.9°(0.1), 28.8°(0.31), 32.1°(0.23), 33.1°(1.0), 43.7°(0.2), 51.0°(0.2), 57.9°(0.21), 61.6°(0.22), 62.2°(0.16), 80.8°(0.07), 84.5°(0.14), 89.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123282 | 3.58 3.58 5.57
90 90 120
Y 0.333 0.667 0.250
Er 0.667 0.333 0.750 |
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