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: Ba2TlHg.
The XRD pattern shows main peaks at: 30.0°(1.0), 43.0°(0.2), 53.3°(0.41), 62.4°(0.13), 70.8°(0.18), 86.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105719 | 5.95 5.95 5.95
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Tl 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YbClO.
The XRD pattern shows main peaks at: 10.0°(0.67), 20.0°(0.16), 27.1°(0.4), 30.1°(1.0), 31.8°(0.28), 38.4°(0.28), 40.7°(0.06), 43.6°(0.22), 47.5°(0.36), 52.6°(0.11), 55.8°(0.15), 57.3°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29370 | 9.13 9.13 9.13
24 24 24
Yb 0.388 0.388 0.388
Yb 0.612 0.612 0.612
Cl 0.117 0.117 0.117
Cl 0.883 0.883 0.883
O 0.303 0.303 0.303
O 0.697 0.697 0.697 |
Below is a description of a material. | The chemical formula is: Ga7Pd3.
The XRD pattern shows main peaks at: 20.0°(0.09), 24.5°(0.28), 35.0°(0.36), 37.9°(0.27), 40.6°(0.05), 43.2°(1.0), 50.3°(0.19), 62.7°(0.14), 79.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137584 | 7.70 7.70 7.70
109 109 109
Ga 0.750 0.250 0.500
Ga 0.330 0.330 0.330
Ga 0.670 0.000 0.000
Ga 0.000 0.670 0.000
Ga 0.000 0.000 0.670
Ga 0.330 -0.000 -0.000
Ga -0.000 0.330 -0.000
Ga 0.670 0.670 0.670
Ga 0.500 0.750 0.250
Ga 0.250 0.750 0.500
Ga 0.250 0.500 0.750
Ga 0.500 0.250 0.750
Ga 0.750 0.500 0.250
Ga -0.000 -0.000... |
Below is a description of a material. | The chemical formula is: CaCeAg2.
The XRD pattern shows main peaks at: 20.9°(0.12), 34.4°(1.0), 40.6°(0.07), 49.4°(0.17), 61.6°(0.35), 72.5°(0.11), 82.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41574 | 5.22 5.22 5.22
60 60 60
Ca 0.250 0.250 0.250
Ce 0.750 0.750 0.750
Ag 0.500 0.500 0.500
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb2NaBiF6.
The XRD pattern shows main peaks at: 17.0°(0.53), 19.6°(0.08), 27.9°(1.0), 32.9°(0.32), 39.9°(0.41), 49.4°(0.44), 57.7°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57563 | 6.39 6.39 6.39
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Na 0.500 0.500 0.500
Bi 0.000 0.000 0.000
F 0.251 0.749 0.251
F 0.749 0.749 0.251
F 0.749 0.251 0.749
F 0.749 0.251 0.251
F 0.251 0.749 0.749
F 0.251 0.251 0.749 |
Below is a description of a material. | The chemical formula is: RbLiSe.
The XRD pattern shows main peaks at: 23.8°(0.16), 27.5°(0.86), 30.9°(1.0), 36.7°(0.26), 39.3°(0.37), 46.5°(0.11), 50.8°(0.47), 52.9°(0.2), 56.9°(0.16), 64.3°(0.18), 66.1°(0.11), 67.9°(0.21), 69.6°(0.08), 79.7°(0.13), 81.4°(0.06), 84.6°(0.07).
Generate atomic structure description with l... | JVASP-2928 | 4.58 4.58 7.47
90 90 90
Rb 0.000 0.500 0.342
Rb 0.500 0.000 0.658
Li 0.000 0.000 0.000
Li 0.500 0.500 0.000
Se 0.500 0.000 0.181
Se 0.000 0.500 0.819 |
Below is a description of a material. | The chemical formula is: Be2TeRh.
The XRD pattern shows main peaks at: 21.1°(1.0), 30.8°(0.72), 37.6°(0.96), 43.1°(0.14), 44.1°(0.33), 49.4°(0.42), 53.8°(0.35), 63.3°(0.19), 64.1°(0.11), 68.3°(0.17), 72.8°(0.11), 76.8°(0.22), 80.3°(0.09), 88.4°(0.17).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-70613 | 2.91 2.91 8.40
90 90 90
Be 0.000 0.000 0.367
Be 0.000 0.000 0.633
Te 0.500 0.500 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KBa2Si.
The XRD pattern shows main peaks at: 21.2°(0.4), 30.1°(1.0), 37.1°(0.13), 43.1°(0.18), 48.5°(0.18), 53.5°(0.39), 62.6°(0.11), 66.9°(0.09), 71.1°(0.16), 75.1°(0.05), 86.9°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69055 | 5.93 5.93 5.93
60 60 60
K 0.000 0.000 0.000
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Si 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba6HfO8.
The XRD pattern shows main peaks at: 14.1°(0.29), 27.3°(0.13), 28.5°(1.0), 33.1°(0.75), 43.4°(0.07), 47.4°(0.53), 49.8°(0.06), 56.3°(0.51), 59.0°(0.18), 69.3°(0.08), 76.6°(0.11), 79.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-50215 | 7.67 7.67 7.67
60 60 60
Ba 0.500 0.000 -0.000
Ba 0.500 0.000 0.500
Ba 0.000 -0.000 0.500
Ba 0.500 0.500 -0.000
Ba 0.000 0.500 -0.000
Ba 0.000 0.500 0.500
Hf 0.000 0.000 0.000
O 0.801 0.199 0.199
O 0.250 0.250 0.250
O 0.199 0.801 0.199
O 0.199 0.199 0.801
O 0.801 0.801 0.199
O 0.801 0.199 0.801
O 0.750 0.750 0.750
O 0.1... |
Below is a description of a material. | The chemical formula is: HoGe2Pd2.
The XRD pattern shows main peaks at: 33.8°(0.44), 34.6°(1.0), 35.4°(0.08), 42.4°(0.53), 46.8°(0.11), 49.8°(0.19), 55.3°(0.22), 56.4°(0.09), 61.5°(0.16), 63.0°(0.13), 72.6°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15439 | 4.26 4.26 5.90
111 111 90
Ho 0.000 0.000 0.000
Ge 0.619 0.619 0.239
Ge 0.381 0.381 0.761
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: LiGe2Ir2.
The XRD pattern shows main peaks at: 17.4°(1.0), 23.2°(0.16), 30.5°(0.19), 34.1°(0.07), 35.3°(0.86), 43.7°(0.4), 47.2°(0.8), 53.9°(0.06), 57.2°(0.07), 63.2°(0.14), 66.3°(0.11), 71.8°(0.11), 74.7°(0.2), 82.8°(0.24), 87.9°(0.07).
Generate atomic structure description with lattice length... | JVASP-155723 | 5.89 5.89 5.89
138 138 59
Li 0.000 0.000 0.000
Ge 0.378 0.378 -0.000
Ge 0.622 0.622 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: TlCl2.
The XRD pattern shows main peaks at: 21.3°(1.0), 23.2°(0.12), 25.4°(0.16), 34.6°(0.37), 36.2°(0.19), 39.7°(0.19), 42.4°(0.34), 43.4°(0.12), 52.1°(0.06), 54.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12733 | 7.02 7.02 9.14
112 112 90
Tl 0.625 0.875 0.250
Tl 0.375 0.125 0.750
Tl 0.125 0.375 0.250
Tl 0.875 0.625 0.750
Cl 0.281 0.456 0.073
Cl 0.617 0.781 0.573
Cl 0.956 0.292 0.573
Cl 0.792 0.117 0.073
Cl 0.208 0.883 0.927
Cl 0.044 0.708 0.427
Cl 0.383 0.219 0.427
Cl 0.719 0.544 0.927 |
Below is a description of a material. | The chemical formula is: Li5Ca.
The XRD pattern shows main peaks at: 18.5°(1.0), 21.4°(0.6), 30.4°(0.73), 35.8°(1.0), 37.5°(0.22), 49.0°(0.1), 57.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190826 | 5.87 5.87 5.87
60 60 60
Li 0.250 0.250 0.250
Li 0.624 0.624 0.127
Li 0.624 0.624 0.624
Li 0.624 0.127 0.624
Li 0.127 0.624 0.624
Ca 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgPbO3.
The XRD pattern shows main peaks at: 21.1°(0.98), 30.1°(1.0), 37.0°(0.14), 43.0°(0.32), 48.4°(0.47), 53.4°(0.45), 62.5°(0.22), 66.8°(0.22), 70.9°(0.2), 74.9°(0.08), 78.9°(0.07), 82.8°(0.11), 86.7°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-121222 | 4.20 4.20 4.20
90 90 90
Mg 0.000 0.000 0.000
Pb 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeMoPd.
The XRD pattern shows main peaks at: 17.3°(0.17), 33.9°(0.66), 34.9°(0.3), 42.3°(1.0), 47.0°(0.41), 53.5°(0.09), 59.8°(0.22), 68.6°(0.13), 73.1°(0.17), 73.9°(0.13), 78.8°(0.11), 79.4°(0.1), 84.0°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-66853 | 5.49 5.49 5.49
151 151 41
Be 0.009 0.009 0.000
Mo 0.347 0.347 0.000
Pd 0.644 0.644 0.000 |
Below is a description of a material. | The chemical formula is: Tb.
The XRD pattern shows main peaks at: 28.8°(0.23), 31.7°(0.23), 33.0°(1.0), 43.4°(0.16), 51.1°(0.19), 57.3°(0.18), 61.4°(0.22), 62.2°(0.16), 80.3°(0.07), 84.6°(0.13), 88.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25154 | 3.58 3.58 5.64
90 90 120
Tb 0.333 0.667 0.250
Tb 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Zr3InC.
The XRD pattern shows main peaks at: 34.0°(1.0), 39.4°(0.51), 57.0°(0.36), 68.1°(0.35), 71.5°(0.11), 84.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178723 | 4.57 4.57 4.57
90 90 90
Zr 0.500 0.000 0.500
Zr 0.000 0.500 0.500
Zr 0.500 0.500 0.000
In 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NaZnSe2.
The XRD pattern shows main peaks at: 11.9°(0.32), 23.9°(0.24), 26.6°(0.44), 29.3°(1.0), 36.1°(0.38), 45.5°(0.69), 47.0°(0.5), 48.9°(0.05), 53.4°(0.15), 56.4°(0.19), 60.7°(0.09), 67.5°(0.21), 70.2°(0.1), 76.4°(0.14), 86.3°(0.21), 87.4°(0.08).
Generate atomic structure description with l... | JVASP-120353 | 3.86 3.86 7.45
90 90 120
Na 0.000 0.000 0.241
Zn 0.333 0.667 0.661
Se 0.333 0.667 0.983
Se 0.667 0.333 0.514 |
Below is a description of a material. | The chemical formula is: MgCr2O4.
The XRD pattern shows main peaks at: 18.3°(0.81), 35.5°(1.0), 37.1°(0.13), 43.1°(0.64), 57.0°(0.39), 62.6°(0.62).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11808 | 5.94 5.94 5.94
60 60 60
Mg 0.125 0.125 0.125
Mg 0.875 0.875 0.875
Cr 0.500 0.500 -0.000
Cr 0.500 0.500 0.500
Cr 0.000 0.500 0.500
Cr 0.500 0.000 0.500
O 0.738 0.738 0.738
O 0.262 0.262 0.715
O 0.262 0.715 0.262
O 0.715 0.262 0.262
O 0.738 0.285 0.738
O 0.285 0.738 0.738
O 0.262 0.262 0.262
O 0.738 0.738 0.285 |
Below is a description of a material. | The chemical formula is: IOF.
The XRD pattern shows main peaks at: 22.3°(1.0), 25.9°(0.78), 34.5°(0.78), 45.8°(0.38), 51.5°(0.54), 53.1°(0.24), 58.5°(0.18), 66.5°(0.24), 72.8°(0.13), 77.3°(0.17), 88.6°(0.11), 89.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118232 | 3.97 3.97 3.99
90 90 119
I 0.333 0.667 0.000
O 0.667 0.333 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2YTl2.
The XRD pattern shows main peaks at: 12.8°(0.33), 22.7°(0.84), 25.9°(0.25), 29.2°(0.85), 30.9°(1.0), 33.6°(0.19), 39.4°(0.95), 40.7°(0.36), 44.3°(0.42), 50.3°(0.21), 52.0°(0.17), 54.0°(0.31), 60.8°(0.55), 62.8°(0.19), 64.4°(0.13), 65.0°(0.1), 71.6°(0.14), 73.2°(0.18), 78.2°(0.13), 79.1... | JVASP-158089 | 7.47 7.47 7.47
148 148 45
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Y 0.000 0.000 0.000
Tl 0.388 0.388 -0.000
Tl 0.612 0.612 -0.000 |
Below is a description of a material. | The chemical formula is: BeNbP.
The XRD pattern shows main peaks at: 26.0°(0.12), 28.7°(0.56), 39.1°(1.0), 50.8°(0.29), 53.4°(0.08), 58.0°(0.08), 59.4°(0.07), 61.8°(0.12), 65.9°(0.19), 76.9°(0.15), 81.9°(0.05), 87.7°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-185998 | 3.59 3.59 3.43
90 90 120
Be 0.333 0.667 0.500
Nb -0.000 -0.000 -0.000
P 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Mg2CuO3.
The XRD pattern shows main peaks at: 15.7°(0.62), 25.5°(0.26), 31.6°(0.55), 34.1°(0.36), 39.0°(0.58), 39.4°(1.0), 47.2°(0.13), 48.3°(0.36), 49.6°(0.36), 51.1°(0.21), 60.0°(0.12), 64.0°(0.38), 64.8°(0.23), 71.7°(0.18), 74.0°(0.11), 82.9°(0.07), 83.8°(0.16), 84.8°(0.12), 86.1°(0.08).
Gen... | JVASP-180582 | 6.12 6.12 6.12
152 145 45
Mg 0.846 0.346 0.500
Mg 0.154 0.654 0.500
Cu 0.500 0.000 0.500
O 0.000 0.000 -0.000
O 0.331 0.831 0.500
O 0.669 0.169 0.500 |
Below is a description of a material. | The chemical formula is: CS2NF5.
The XRD pattern shows main peaks at: 12.4°(0.25), 16.0°(0.85), 17.9°(0.79), 22.0°(0.39), 22.5°(0.83), 23.1°(1.0), 24.4°(0.62), 24.8°(0.44), 25.9°(0.97), 26.3°(0.29), 28.7°(0.37), 31.5°(0.31), 33.3°(0.24), 34.5°(0.14), 37.2°(0.23), 38.6°(0.19), 39.6°(0.15), 45.2°(0.33), 45.6°(0.2), 52.0°... | JVASP-32465 | 4.78 7.18 7.75
96 90 89
C 0.628 0.484 0.220
C 0.372 0.516 0.780
S 0.111 0.193 0.772
S 0.889 0.807 0.228
S 0.474 0.324 0.293
S 0.526 0.676 0.707
N 0.747 0.603 0.146
N 0.253 0.397 0.854
F 0.048 0.713 0.384
F 0.969 -0.004 0.698
F 0.843 0.236 0.893
F 0.952 0.287 0.616
F 0.260 0.088 0.920
F 0.157 0.764 0.107
F 0.740 0.912 0... |
Below is a description of a material. | The chemical formula is: TiBiRh2.
The XRD pattern shows main peaks at: 24.3°(0.4), 38.4°(1.0), 40.8°(0.11), 43.7°(0.37), 46.3°(0.16), 50.6°(0.12), 61.3°(0.07), 63.5°(0.14), 65.6°(0.21), 76.7°(0.28), 80.5°(0.12), 82.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178708 | 4.89 4.89 4.89
129 129 73
Ti 0.500 0.500 0.000
Bi 0.000 -0.000 0.000
Rh 0.750 0.250 0.500
Rh 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: CuCl2.
The XRD pattern shows main peaks at: 12.3°(0.65), 25.0°(1.0), 27.9°(0.2), 31.5°(0.54), 33.9°(0.13), 37.5°(0.22), 40.6°(0.52), 42.6°(0.12), 45.5°(0.23), 49.7°(0.19), 50.7°(0.08), 51.2°(0.12), 56.4°(0.25), 57.3°(0.1), 60.9°(0.09), 61.4°(0.13), 66.9°(0.12), 71.4°(0.08), 74.2°(0.1), 83.6°(0.... | JVASP-136498 | 7.20 3.57 2.84
90 90 90
Cu 0.000 0.117 0.000
Cl 0.289 0.117 0.000
Cl 0.711 0.117 0.000 |
Below is a description of a material. | The chemical formula is: Al2H.
The XRD pattern shows main peaks at: 22.9°(0.99), 33.5°(0.58), 40.2°(1.0), 41.0°(0.39), 46.7°(0.14), 53.3°(0.86), 58.7°(0.15), 63.3°(0.12), 70.4°(0.06), 73.0°(0.17), 73.5°(0.14), 82.8°(0.22), 84.3°(0.23), 86.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-139244 | 4.49 4.49 2.67
90 90 120
Al 0.333 0.667 0.000
Al 0.667 0.333 0.000
H 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KBrF4.
The XRD pattern shows main peaks at: 15.2°(0.26), 17.4°(0.27), 20.7°(0.38), 25.3°(0.96), 26.3°(1.0), 27.3°(0.2), 27.8°(0.1), 31.6°(0.1), 33.0°(0.26), 35.6°(0.44), 40.1°(0.36), 42.3°(0.36), 42.9°(0.25), 44.6°(0.14), 46.4°(0.17), 48.3°(0.16), 48.8°(0.13), 50.8°(0.15), 52.0°(0.13), 52.6°(0.... | JVASP-34609 | 5.67 6.55 7.10
114 113 90
K 0.500 0.500 -0.000
K 0.000 0.000 0.000
Br 0.665 0.250 0.500
Br 0.335 0.750 0.500
F 0.506 0.954 0.246
F 0.211 0.689 0.733
F 0.240 0.454 0.246
F 0.978 0.811 0.267
F 0.760 0.546 0.754
F 0.494 0.046 0.754
F 0.789 0.311 0.267
F 0.022 0.189 0.733 |
Below is a description of a material. | The chemical formula is: Na2CdPb.
The XRD pattern shows main peaks at: 20.7°(0.68), 23.9°(0.06), 34.1°(1.0), 40.2°(0.36), 49.0°(0.18), 61.1°(0.35), 71.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17695 | 5.26 5.26 5.26
60 60 60
Na 0.250 0.250 0.250
Na 0.500 0.500 0.500
Cd 0.750 0.750 0.750
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mn3CuO8.
The XRD pattern shows main peaks at: 18.6°(0.31), 19.1°(1.0), 36.3°(0.12), 36.9°(0.28), 38.8°(0.1), 44.8°(0.65), 64.5°(0.16), 65.9°(0.15), 83.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-112828 | 5.78 5.78 5.78
58 58 58
Mn 0.500 0.000 0.500
Mn 0.500 0.500 0.000
Mn -0.000 0.500 0.500
Cu 0.500 0.500 0.500
O 0.264 0.264 0.264
O 0.708 0.257 0.257
O 0.257 0.257 0.708
O 0.257 0.708 0.257
O 0.743 0.292 0.743
O 0.743 0.743 0.292
O 0.292 0.743 0.743
O 0.736 0.736 0.736 |
Below is a description of a material. | The chemical formula is: Na2FeO4.
The XRD pattern shows main peaks at: 18.1°(0.15), 22.0°(0.42), 23.0°(0.43), 24.8°(0.27), 30.9°(1.0), 33.1°(0.51), 36.7°(0.17), 41.8°(0.13), 42.6°(0.07), 44.8°(0.16), 47.0°(0.12), 50.9°(0.24), 54.9°(0.08), 56.3°(0.12), 57.2°(0.22), 62.0°(0.13), 64.3°(0.08), 66.1°(0.06), 70.8°(0.07), 79.... | JVASP-11752 | 5.43 5.43 7.18
90 90 115
Na 0.500 0.500 0.000
Na 0.500 0.500 0.500
Na 0.814 0.186 0.250
Na 0.186 0.814 0.750
Fe 0.855 0.145 0.750
Fe 0.145 0.855 0.250
O 0.750 0.250 0.937
O 0.250 0.750 0.437
O 0.250 0.750 0.063
O 0.750 0.250 0.563
O 0.195 0.273 0.750
O 0.805 0.727 0.250
O 0.727 0.805 0.750
O 0.273 0.195 0.250 |
Below is a description of a material. | The chemical formula is: H6C11S2O.
The XRD pattern shows main peaks at: 9.6°(0.16), 13.8°(1.0), 14.5°(0.45), 18.9°(0.13), 20.4°(0.12), 24.1°(0.3), 24.7°(1.0), 27.0°(0.37), 29.1°(0.12), 32.3°(0.24), 32.8°(0.2), 34.3°(0.06), 35.7°(0.07), 37.6°(0.07), 39.3°(0.07), 41.5°(0.11), 42.4°(0.08), 50.7°(0.05).
Generate atomic str... | JVASP-104120 | 3.81 6.83 9.62
75 93 77
H 0.922 0.181 0.200
H 0.530 0.114 0.808
H 0.365 0.285 0.529
H 0.097 0.886 0.177
H 0.246 0.734 0.974
H 0.792 0.329 0.404
C 0.890 0.419 0.311
C 0.963 0.334 0.196
C 0.877 0.699 0.435
C 0.940 0.618 0.307
C 0.095 0.446 0.077
C 0.189 0.398 0.838
C 0.133 0.648 0.066
C 0.030 0.561 0.574
C 0.264 0.362 0.... |
Below is a description of a material. | The chemical formula is: Ba2ScUO6.
The XRD pattern shows main peaks at: 18.0°(0.28), 29.6°(1.0), 42.3°(0.32), 52.5°(0.39), 61.4°(0.19), 77.4°(0.06), 84.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106665 | 6.04 6.04 6.04
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Sc 0.500 0.500 0.500
U 0.000 0.000 0.000
O 0.748 0.252 0.252
O 0.252 0.748 0.748
O 0.252 0.748 0.252
O 0.748 0.252 0.748
O 0.252 0.252 0.748
O 0.748 0.748 0.252 |
Below is a description of a material. | The chemical formula is: NaSr2Sn6As6.
The XRD pattern shows main peaks at: 9.6°(0.07), 25.4°(0.05), 29.5°(1.0), 41.2°(0.33), 43.2°(0.38), 44.0°(0.05), 53.2°(0.2), 61.2°(0.1), 68.0°(0.06), 70.8°(0.16), 77.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122185 | 7.25 7.25 9.48
82 82 120
Na 0.000 0.000 0.000
Sr 0.667 0.333 0.000
Sr 0.333 0.667 0.000
Sn 0.541 0.877 0.368
Sn 0.213 0.213 0.370
Sn 0.877 0.541 0.368
Sn 0.459 0.123 0.632
Sn 0.123 0.459 0.632
Sn 0.787 0.787 0.630
As 0.402 0.402 0.783
As 0.072 0.743 0.783
As 0.743 0.072 0.783
As 0.598 0.598 0.217
As 0.257 0.928 0.217
A... |
Below is a description of a material. | The chemical formula is: LiV2F7.
The XRD pattern shows main peaks at: 10.3°(0.15), 20.7°(0.51), 25.2°(1.0), 29.4°(0.27), 31.3°(0.09), 32.7°(0.1), 34.2°(0.07), 36.4°(0.16), 40.9°(0.27), 41.4°(0.26), 42.5°(0.21), 43.2°(0.07), 50.6°(0.08), 51.7°(0.09), 54.0°(0.21), 54.8°(0.22), 55.5°(0.22), 63.6°(0.11), 66.6°(0.19).
Gener... | JVASP-116849 | 8.89 8.89 5.47
89 89 31
Li 0.500 0.000 -0.000
Li 0.000 0.500 0.500
V 0.150 0.640 0.800
V 0.640 0.150 0.300
V 0.360 0.850 0.700
V 0.850 0.360 0.200
F 0.645 0.501 0.897
F 0.501 0.645 0.397
F 0.210 0.070 0.006
F 0.070 0.210 0.506
F 0.618 0.796 0.689
F 0.796 0.618 0.189
F 0.930 0.790 0.494
F 0.382 0.204 0.311
F 0.107 0.893... |
Below is a description of a material. | The chemical formula is: GeCl.
The XRD pattern shows main peaks at: 17.6°(0.96), 20.7°(0.3), 31.3°(0.88), 32.8°(0.59), 33.2°(1.0), 34.0°(0.91), 35.3°(0.78), 37.3°(0.13), 38.4°(0.16), 41.4°(0.38), 43.3°(0.18), 45.7°(0.23), 46.0°(0.25), 48.6°(0.14), 52.3°(0.27), 53.8°(0.24), 54.5°(0.23), 56.0°(0.13), 61.0°(0.12), 61.9°(0... | JVASP-114989 | 3.37 5.65 6.80
129 102 90
Ge 0.876 0.037 0.024
Ge 0.282 0.213 0.814
Cl 0.694 0.527 0.630
Cl 0.464 0.723 0.208 |
Below is a description of a material. | The chemical formula is: Li2CuF4.
The XRD pattern shows main peaks at: 18.7°(1.0), 21.8°(0.22), 29.0°(0.1), 30.7°(0.09), 34.8°(0.35), 36.5°(0.14), 42.8°(0.5), 44.4°(0.22), 47.3°(0.1), 48.5°(0.1), 57.3°(0.11), 60.2°(0.07), 63.4°(0.25), 66.6°(0.05), 77.8°(0.06).
Generate atomic structure description with lattice lengths,... | JVASP-52187 | 5.01 5.01 3.08
90 90 70
Li 0.000 0.500 0.500
Li 0.500 -0.000 0.500
Cu 0.000 0.000 0.000
F 0.240 0.240 0.000
F 0.234 0.766 0.500
F 0.766 0.234 0.500
F 0.760 0.760 0.000 |
Below is a description of a material. | The chemical formula is: SbI3.
The XRD pattern shows main peaks at: 8.1°(0.09), 24.3°(0.08), 26.3°(0.16), 27.9°(0.36), 29.9°(1.0), 32.6°(0.14), 35.1°(0.15), 37.3°(0.05), 42.1°(0.07), 43.4°(0.13), 48.7°(0.11), 50.6°(0.21), 51.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-124515 | 3.86 3.86 10.98
89 89 112
Sb 0.162 0.162 0.125
I 0.332 0.332 0.625
I 0.753 0.753 0.332
I 0.753 0.753 0.918 |
Below is a description of a material. | The chemical formula is: PaAl3.
The XRD pattern shows main peaks at: 20.5°(1.0), 29.2°(0.95), 36.0°(0.91), 41.8°(0.45), 47.0°(0.55), 51.8°(0.42), 60.6°(0.31), 64.7°(0.27), 68.7°(0.18), 72.5°(0.34), 76.3°(0.1), 80.0°(0.11), 83.7°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-39353 | 4.32 4.32 4.32
90 90 90
Pa 0.000 0.000 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
Al 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Be2PdRu.
The XRD pattern shows main peaks at: 20.0°(1.0), 38.5°(0.23), 40.2°(0.44), 40.6°(0.2), 43.8°(0.27), 45.3°(0.5), 57.2°(0.15), 58.4°(0.26), 70.9°(0.07), 74.5°(0.1), 85.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-81986 | 8.90 5.18 5.18
53 30 30
Be 0.748 -0.000 -0.000
Be 0.252 0.000 0.000
Pd 0.500 0.000 -0.000
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaSiSnO5.
The XRD pattern shows main peaks at: 17.4°(0.84), 19.7°(0.38), 26.7°(0.69), 27.1°(0.89), 29.0°(1.0), 33.4°(0.9), 33.8°(0.38), 36.8°(0.28), 42.7°(0.16), 43.2°(0.28), 45.2°(0.14), 49.3°(0.16), 50.8°(0.13), 51.3°(0.16), 51.9°(0.48), 53.8°(0.19), 54.5°(0.18), 56.8°(0.14), 59.7°(0.15), 64.... | JVASP-85698 | 7.22 5.66 5.55
106 102 104
Ca 0.781 0.830 0.151
Ca 0.219 0.170 0.849
Si 0.252 0.823 0.187
Si 0.748 0.177 0.813
Sn 0.500 0.500 0.500
Sn 0.000 0.500 0.500
O 0.249 0.415 0.596
O 0.751 0.585 0.404
O 0.073 0.751 0.904
O 0.927 0.249 0.096
O 0.404 0.112 0.230
O 0.596 0.888 0.770
O 0.628 0.391 0.818
O 0.372 0.609 0.182
O 0.866... |
Below is a description of a material. | The chemical formula is: Mg2CdHg.
The XRD pattern shows main peaks at: 22.1°(0.12), 25.6°(0.63), 36.5°(1.0), 45.1°(0.19), 52.6°(0.17), 59.4°(0.23), 65.7°(0.35), 77.5°(0.1), 83.2°(0.11), 88.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110004 | 4.92 4.92 4.92
60 60 60
Mg 0.750 0.750 0.750
Mg 0.250 0.250 0.250
Cd 0.500 0.500 0.500
Hg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AlTeI.
The XRD pattern shows main peaks at: 9.0°(0.18), 18.2°(0.51), 27.4°(0.36), 28.0°(1.0), 29.5°(0.06), 33.6°(0.47), 39.6°(0.51), 40.0°(0.37), 44.3°(0.21), 46.5°(0.08), 49.2°(0.28), 55.1°(0.19), 57.9°(0.12), 61.2°(0.08), 63.0°(0.12), 65.5°(0.17), 68.6°(0.12), 72.4°(0.18), 77.3°(0.07), 84.1°(... | JVASP-136874 | 3.19 3.19 9.77
90 90 90
Al 0.000 0.000 0.318
Te 0.000 0.000 0.027
I 0.000 0.000 0.628 |
Below is a description of a material. | The chemical formula is: Hf4BeIn.
The XRD pattern shows main peaks at: 19.1°(0.63), 22.1°(0.06), 31.5°(0.06), 37.1°(1.0), 38.8°(0.74), 45.1°(0.23), 49.4°(0.16), 59.8°(0.33), 65.7°(0.3), 69.2°(0.12), 78.0°(0.11), 79.0°(0.26), 83.3°(0.06), 86.5°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-65310 | 5.68 5.68 5.68
60 60 60
Hf 0.124 0.625 0.625
Hf 0.625 0.625 0.625
Hf 0.625 0.124 0.625
Hf 0.625 0.625 0.124
Be 0.000 0.000 0.000
In 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TiBe2Cr.
The XRD pattern shows main peaks at: 25.6°(0.71), 35.4°(0.57), 44.2°(1.0), 51.0°(0.31), 52.5°(0.13), 57.9°(0.25), 65.0°(0.17), 75.0°(0.09), 76.3°(0.15), 80.7°(0.08), 85.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-70069 | 3.58 3.58 3.48
90 90 90
Ti 0.000 0.000 0.500
Be 0.500 0.000 0.000
Be 0.000 0.500 0.000
Cr 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TmLuNO.
The XRD pattern shows main peaks at: 32.9°(1.0), 38.1°(0.49), 55.1°(0.36), 65.5°(0.29), 68.9°(0.15), 81.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-159648 | 4.73 4.73 4.70
90 90 90
Tm 0.750 0.250 0.500
Tm 0.250 0.750 0.500
Lu 0.250 0.250 0.000
Lu 0.750 0.750 0.000
N 0.750 0.750 0.500
N 0.250 0.250 0.500
O 0.750 0.250 0.000
O 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: Nb3Cr.
The XRD pattern shows main peaks at: 37.6°(0.29), 38.6°(1.0), 48.2°(0.27), 62.7°(0.24), 68.6°(0.18), 70.6°(0.08), 82.9°(0.1), 83.5°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37153 | 3.77 3.77 5.48
110 110 90
Nb 0.500 0.500 0.000
Nb 0.250 0.750 0.500
Nb 0.750 0.250 0.500
Cr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ca3ScN3.
The XRD pattern shows main peaks at: 13.7°(0.07), 22.5°(0.33), 23.8°(0.18), 27.5°(0.45), 29.8°(0.79), 32.9°(0.97), 35.9°(1.0), 36.7°(0.59), 41.0°(0.29), 41.8°(0.74), 45.8°(0.2), 50.8°(0.35), 52.3°(0.4), 56.3°(0.58), 60.8°(0.07), 62.7°(0.14), 63.8°(0.33), 65.5°(0.27), 75.9°(0.21).
Gener... | JVASP-145487 | 7.48 7.48 5.00
90 90 120
Ca 0.936 0.668 0.250
Ca 0.732 0.064 0.250
Ca 0.332 0.268 0.250
Ca 0.064 0.332 0.750
Ca 0.268 0.936 0.750
Ca 0.668 0.732 0.750
Sc 0.667 0.333 0.750
Sc 0.333 0.667 0.250
N 0.925 0.624 0.750
N 0.699 0.075 0.750
N 0.376 0.301 0.750
N 0.075 0.376 0.250
N 0.301 0.925 0.250
N 0.624 0.699 0.250 |
Below is a description of a material. | The chemical formula is: LiGeO.
The XRD pattern shows main peaks at: 15.1°(1.0), 28.6°(0.52), 30.4°(0.26), 34.5°(0.78), 37.8°(0.68), 39.2°(0.16), 46.6°(0.22), 49.6°(0.31), 52.1°(0.2), 52.9°(0.33), 58.2°(0.11), 59.2°(0.15), 64.9°(0.08), 68.7°(0.16), 72.7°(0.1), 74.8°(0.06), 75.4°(0.22), 83.0°(0.11), 85.0°(0.14), 89.3°(0... | JVASP-139011 | 3.68 3.68 5.88
90 90 90
Li 0.000 0.000 0.000
Li 0.500 0.500 0.000
Ge 0.000 0.500 0.556
Ge 0.500 0.000 0.444
O 0.000 0.500 0.865
O 0.500 0.000 0.135 |
Below is a description of a material. | The chemical formula is: U5Sb4.
The XRD pattern shows main peaks at: 23.9°(0.15), 28.9°(0.05), 32.7°(0.33), 33.3°(1.0), 34.8°(0.94), 43.0°(0.1), 49.0°(0.32), 51.5°(0.09), 53.7°(0.09), 59.9°(0.08), 60.5°(0.26), 70.3°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116584 | 9.32 9.32 6.18
90 90 120
U 0.333 0.667 0.000
U 0.289 0.289 0.750
U 0.000 0.711 0.750
U -0.000 0.289 0.250
U 0.711 0.000 0.750
U 0.711 0.711 0.250
U 0.333 0.667 0.500
U 0.667 0.333 0.500
U 0.667 0.333 0.000
U 0.289 -0.000 0.250
Sb 0.377 0.377 0.250
Sb 0.000 0.000 0.000
Sb 0.000 0.000 0.500
Sb 0.623 -0.000 0.250
Sb 0.377... |
Below is a description of a material. | The chemical formula is: CeSe2.
The XRD pattern shows main peaks at: 22.8°(0.3), 23.6°(0.14), 25.8°(0.14), 31.0°(0.44), 31.6°(0.44), 33.1°(1.0), 36.2°(0.34), 37.0°(0.1), 38.2°(0.53), 39.4°(0.17), 40.9°(0.43), 42.2°(0.39), 42.8°(0.18), 43.6°(0.14), 58.7°(0.09), 59.1°(0.1), 60.3°(0.43), 66.4°(0.17), 71.4°(0.1), 73.4°(0.1... | JVASP-168036 | 4.28 7.55 9.14
90 90 90
Ce 0.250 0.751 0.367
Ce 0.250 0.251 0.133
Ce 0.750 0.249 0.633
Ce 0.750 0.749 0.867
Se 0.250 0.861 0.063
Se 0.250 0.361 0.437
Se 0.750 0.139 0.937
Se 0.750 0.639 0.563
Se 0.750 0.539 0.167
Se 0.750 0.039 0.333
Se 0.250 0.461 0.833
Se 0.250 0.961 0.667 |
Below is a description of a material. | The chemical formula is: MgH2Cl.
The XRD pattern shows main peaks at: 29.4°(1.0), 41.9°(0.45), 44.7°(0.61), 56.8°(0.15), 60.7°(0.11), 65.2°(0.16), 73.0°(0.23), 78.4°(0.11), 87.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118021 | 4.89 4.89 4.89
141 141 55
Mg 0.500 0.500 0.000
H 0.000 0.000 0.000
H 0.250 0.750 0.500
Cl 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: CaSe2.
The XRD pattern shows main peaks at: 22.4°(0.43), 23.6°(0.43), 24.3°(0.24), 26.0°(1.0), 35.7°(0.14), 36.4°(0.35), 38.0°(0.42), 38.5°(0.58), 41.2°(0.28), 42.3°(0.09), 45.7°(0.15), 47.4°(0.12), 48.1°(0.46), 52.9°(0.09), 56.1°(0.19), 63.2°(0.12), 65.1°(0.12), 67.3°(0.11), 73.3°(0.09), 76.6°... | JVASP-123650 | 4.69 4.38 5.68
90 114 117
Ca -0.000 0.333 0.167
Se 0.805 0.736 0.428
Se 0.195 -0.069 0.905 |
Below is a description of a material. | The chemical formula is: TmBi.
The XRD pattern shows main peaks at: 28.6°(1.0), 40.9°(0.73), 50.6°(0.28), 59.2°(0.13), 67.0°(0.38), 74.4°(0.28), 88.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18351 | 4.42 4.42 4.42
60 60 60
Tm 0.500 0.500 0.500
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: InWO.
The XRD pattern shows main peaks at: 18.2°(0.09), 29.9°(0.24), 35.2°(1.0), 36.9°(0.22), 48.2°(0.13), 53.1°(0.23), 65.3°(0.3), 66.4°(0.23), 89.0°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184177 | 3.45 3.45 4.88
90 90 120
In 0.000 0.000 -0.000
W 0.667 0.333 0.500
O 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Li4Mn2Ni3O10.
The XRD pattern shows main peaks at: 13.1°(1.0), 18.7°(0.37), 19.0°(0.82), 23.2°(0.23), 27.4°(0.31), 30.7°(0.23), 34.0°(0.11), 36.1°(0.14), 36.8°(0.22), 37.8°(0.13), 38.6°(0.25), 44.2°(0.59), 44.6°(0.58), 45.0°(0.58), 64.2°(0.32), 64.7°(0.15), 65.0°(0.16), 65.6°(0.16), 80.7°(0.07)... | JVASP-116867 | 4.97 5.06 7.51
102 109 99
Li 0.088 0.767 0.591
Li 0.692 0.596 0.217
Li 0.308 0.404 0.783
Li 0.912 0.233 0.409
Mn 0.296 0.898 0.308
Mn 0.704 0.102 0.692
Ni 0.500 0.000 0.000
Ni 0.897 0.695 0.897
Ni 0.103 0.305 0.103
O 0.712 0.327 0.947
O 0.464 0.220 0.233
O 0.899 0.438 0.670
O 0.101 0.562 0.330
O 0.913 0.933 0.144
O 0.2... |
Below is a description of a material. | The chemical formula is: FeCo3O8.
The XRD pattern shows main peaks at: 20.5°(1.0), 37.4°(0.46), 39.4°(0.09), 46.4°(0.53), 51.2°(0.12), 62.8°(0.14), 66.2°(0.16), 69.4°(0.12), 70.1°(0.16), 84.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-30289 | 5.43 5.65 5.65
60 58 90
Fe 0.000 0.000 0.000
Co 0.000 0.000 0.500
Co -0.000 0.500 0.000
Co 0.000 0.500 0.500
O 0.213 0.237 0.024
O 0.213 0.237 0.527
O 0.213 0.740 0.024
O 0.213 0.738 0.525
O 0.787 0.262 0.475
O 0.787 0.260 0.976
O 0.787 0.763 0.473
O 0.787 0.763 0.976 |
Below is a description of a material. | The chemical formula is: FeH3.
The XRD pattern shows main peaks at: 34.1°(1.0), 49.1°(0.72), 61.1°(0.26), 71.9°(0.12), 82.1°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79506 | 2.63 2.63 2.63
90 90 90
Fe 0.000 0.000 0.000
H 0.500 0.500 0.000
H 0.500 0.000 0.500
H 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MnZnO4.
The XRD pattern shows main peaks at: 26.9°(0.94), 28.3°(0.67), 36.7°(1.0), 39.5°(0.21), 42.3°(0.15), 43.4°(0.07), 54.2°(0.59), 55.8°(0.43), 58.6°(0.14), 63.5°(0.08), 64.1°(0.12), 65.7°(0.11), 69.8°(0.33), 70.9°(0.1), 71.6°(0.09), 78.0°(0.06), 81.3°(0.08), 85.1°(0.07).
Generate atomic st... | JVASP-183291 | 4.57 4.57 2.90
90 90 92
Mn 0.500 0.500 0.500
Zn -0.000 0.000 0.000
O 0.218 0.218 0.500
O 0.682 0.318 0.000
O 0.318 0.682 0.000
O 0.782 0.782 0.500 |
Below is a description of a material. | The chemical formula is: RbPS3.
The XRD pattern shows main peaks at: 14.3°(0.13), 15.9°(0.12), 16.6°(0.19), 19.1°(0.05), 25.6°(0.13), 26.7°(0.42), 28.8°(1.0), 31.7°(0.15), 32.2°(0.62), 33.5°(0.36), 38.9°(0.14), 43.3°(0.13), 52.3°(0.3), 52.7°(0.1), 55.0°(0.15), 61.1°(0.21), 66.2°(0.09).
Generate atomic structure descrip... | JVASP-22518 | 6.95 7.14 7.14
71 60 60
Rb 0.500 0.737 0.263
Rb 0.500 0.263 0.737
P 0.161 0.339 0.339
P 0.839 0.661 0.661
S -0.000 0.311 0.689
S 0.025 0.230 0.230
S 0.484 0.770 0.770
S 0.000 0.689 0.311
S 0.516 0.230 0.230
S 0.975 0.770 0.770 |
Below is a description of a material. | The chemical formula is: CeCuGe2.
The XRD pattern shows main peaks at: 29.8°(0.2), 33.5°(1.0), 33.9°(0.42), 38.2°(0.25), 39.9°(0.06), 41.6°(0.32), 42.3°(0.3), 48.0°(0.16), 53.5°(0.11), 54.7°(0.21), 58.3°(0.15), 60.8°(0.19), 65.9°(0.12), 68.6°(0.05), 69.9°(0.1), 70.8°(0.1), 71.8°(0.11), 86.7°(0.05).
Generate atomic stru... | JVASP-90685 | 4.34 4.27 8.69
104 90 90
Ce 0.750 0.105 0.211
Ce 0.250 0.895 0.789
Cu 0.750 0.323 0.645
Cu 0.250 0.677 0.355
Ge 0.750 0.463 0.925
Ge 0.250 0.537 0.075
Ge 0.750 0.750 0.499
Ge 0.250 0.250 0.501 |
Below is a description of a material. | The chemical formula is: HoCd3.
The XRD pattern shows main peaks at: 30.2°(0.11), 33.0°(0.18), 33.4°(0.13), 35.6°(1.0), 37.1°(0.27), 37.9°(0.2), 48.5°(0.06), 50.4°(0.11), 51.9°(0.08), 57.2°(0.09), 65.8°(0.17), 70.1°(0.09), 75.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-16476 | 4.85 6.48 6.48
114 90 90
Ho 0.750 0.363 0.637
Ho 0.250 0.637 0.363
Cd 0.750 0.824 0.176
Cd 0.250 0.176 0.824
Cd 0.750 0.313 0.126
Cd 0.250 0.687 0.874
Cd 0.250 0.126 0.313
Cd 0.750 0.874 0.687 |
Below is a description of a material. | The chemical formula is: Rb2EuAgCl6.
The XRD pattern shows main peaks at: 16.6°(0.27), 23.6°(1.0), 33.5°(0.65), 41.4°(0.52), 48.2°(0.49), 60.0°(0.17), 70.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100116 | 7.56 7.56 7.56
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Eu 0.000 0.000 0.000
Ag 0.500 0.500 0.500
Cl 0.752 0.248 0.248
Cl 0.248 0.248 0.752
Cl 0.248 0.752 0.752
Cl 0.248 0.752 0.248
Cl 0.752 0.248 0.752
Cl 0.752 0.752 0.248 |
Below is a description of a material. | The chemical formula is: ArHo8.
The XRD pattern shows main peaks at: 3.2°(1.0), 6.4°(0.19), 29.7°(0.14), 30.2°(0.11), 32.3°(0.3), 33.8°(0.43), 52.3°(0.16), 63.7°(0.07), 86.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130738 | 3.50 3.50 27.50
90 90 119
Ar 0.000 0.000 0.000
Ho 0.000 0.000 0.244
Ho 0.667 0.333 0.145
Ho 0.667 0.333 0.347
Ho 0.667 0.333 0.551
Ho 0.333 0.667 0.449
Ho 0.333 0.667 0.653
Ho 0.333 0.667 0.855
Ho 0.000 0.000 0.756 |
Below is a description of a material. | The chemical formula is: Mo3Se4.
The XRD pattern shows main peaks at: 13.2°(1.0), 26.5°(0.11), 30.1°(0.14), 32.0°(0.16), 32.4°(0.35), 33.5°(0.11), 39.6°(0.36), 41.4°(0.18), 42.9°(0.09), 44.5°(0.64), 48.4°(0.12), 50.1°(0.26), 58.1°(0.14), 67.0°(0.11).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-59699 | 6.73 6.73 6.73
91 91 91
Mo 0.586 0.454 0.772
Mo 0.454 0.772 0.586
Mo 0.772 0.586 0.454
Mo 0.414 0.546 0.228
Mo 0.546 0.228 0.414
Mo 0.228 0.414 0.546
Se 0.874 0.256 0.619
Se 0.256 0.619 0.874
Se 0.619 0.874 0.256
Se 0.126 0.744 0.381
Se 0.744 0.381 0.126
Se 0.381 0.126 0.744
Se 0.215 0.215 0.215
Se 0.785 0.785 0.785 |
Below is a description of a material. | The chemical formula is: BeTcSn.
The XRD pattern shows main peaks at: 14.4°(0.4), 29.0°(0.2), 34.3°(0.22), 37.4°(1.0), 44.1°(0.14), 45.5°(0.47), 57.1°(0.12), 61.4°(0.18), 69.3°(0.09), 71.1°(0.18), 74.2°(0.13), 78.7°(0.17), 79.7°(0.1), 87.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-71396 | 3.02 3.02 6.15
90 90 119
Be 0.000 0.000 0.035
Tc 0.333 0.667 0.301
Sn 0.667 0.333 0.664 |
Below is a description of a material. | The chemical formula is: PbAu3.
The XRD pattern shows main peaks at: 35.5°(1.0), 41.3°(0.51), 59.8°(0.36), 71.5°(0.43), 75.2°(0.12), 89.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126917 | 4.38 4.38 4.38
90 90 90
Pb 0.000 0.000 0.000
Au 0.000 0.500 0.500
Au 0.500 0.000 0.500
Au 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Lu2CoCu.
The XRD pattern shows main peaks at: 27.1°(0.24), 38.6°(1.0), 47.8°(0.08), 55.8°(0.18), 69.9°(0.36), 82.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105195 | 4.66 4.66 4.66
60 60 60
Lu 0.250 0.250 0.250
Lu 0.750 0.750 0.750
Co 0.500 0.500 0.500
Cu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfBeRh2.
The XRD pattern shows main peaks at: 25.2°(0.46), 41.7°(1.0), 49.3°(0.21), 60.5°(0.15), 66.5°(0.09), 76.1°(0.32), 81.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41358 | 4.33 4.33 4.33
60 60 60
Hf 0.750 0.750 0.750
Be 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: CaBeTl2.
The XRD pattern shows main peaks at: 21.7°(0.93), 33.8°(1.0), 34.6°(0.3), 38.0°(0.19), 39.8°(0.31), 45.8°(0.27), 52.4°(0.09), 53.7°(0.18), 56.2°(0.25), 57.5°(0.12), 62.2°(0.06), 66.0°(0.15), 67.7°(0.09), 68.4°(0.25), 71.0°(0.12), 76.4°(0.07), 82.6°(0.05), 86.5°(0.05).
Generate atomic s... | JVASP-68332 | 5.72 5.72 5.72
133 133 68
Ca 0.750 0.250 0.500
Be 0.500 0.500 0.000
Tl 0.000 0.000 0.000
Tl 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: FeCO3.
The XRD pattern shows main peaks at: 24.8°(0.37), 32.4°(1.0), 38.2°(0.21), 42.4°(0.18), 46.1°(0.21), 50.9°(0.11), 53.4°(0.31), 53.8°(0.18), 61.3°(0.15), 65.4°(0.11), 69.0°(0.12), 80.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-151592 | 5.70 5.70 5.70
48 48 48
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.500
C 0.250 0.250 0.250
C 0.750 0.750 0.750
O 0.250 0.526 0.974
O 0.974 0.250 0.526
O 0.526 0.974 0.250
O 0.750 0.474 0.026
O 0.026 0.750 0.474
O 0.474 0.026 0.750 |
Below is a description of a material. | The chemical formula is: Hf5Sn3.
The XRD pattern shows main peaks at: 24.4°(0.08), 31.3°(0.13), 32.5°(0.36), 33.7°(0.2), 36.2°(1.0), 37.0°(0.44), 38.1°(0.73), 54.1°(0.2), 57.4°(0.12), 57.9°(0.1), 59.0°(0.24), 60.2°(0.15), 65.4°(0.08), 72.8°(0.16), 77.5°(0.1).
Generate atomic structure description with lattice lengths, ... | JVASP-23530 | 8.42 8.42 5.71
90 90 120
Hf 0.667 0.333 0.000
Hf 0.333 0.667 0.500
Hf 0.333 0.667 0.000
Hf 0.667 0.333 0.500
Hf 0.757 0.000 0.250
Hf -0.000 0.243 0.750
Hf 0.757 0.757 0.750
Hf 0.243 0.243 0.250
Hf 0.000 0.757 0.250
Hf 0.243 -0.000 0.750
Sn 0.392 -0.000 0.250
Sn 0.000 0.608 0.750
Sn 0.392 0.392 0.750
Sn 0.608 0.608 0.25... |
Below is a description of a material. | The chemical formula is: Yb2H6Ru.
The XRD pattern shows main peaks at: 21.8°(0.14), 25.2°(0.32), 36.0°(1.0), 44.5°(0.11), 51.8°(0.18), 64.7°(0.37), 76.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103335 | 4.99 4.99 4.99
60 60 60
Yb 0.250 0.250 0.250
Yb 0.750 0.750 0.750
H 0.756 0.244 0.244
H 0.756 0.756 0.244
H 0.244 0.756 0.244
H 0.756 0.244 0.756
H 0.244 0.244 0.756
H 0.244 0.756 0.756
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiS.
The XRD pattern shows main peaks at: 30.0°(0.38), 32.8°(0.08), 34.3°(0.61), 38.2°(0.49), 40.5°(1.0), 45.5°(0.3), 52.9°(0.68), 54.2°(0.2), 64.6°(0.08), 67.1°(0.07), 68.7°(0.18), 72.4°(0.07), 86.5°(0.09), 88.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-93950 | 3.46 3.46 9.11
79 79 59
Ti 0.500 0.500 0.500
Ti 0.382 0.382 0.854
Ti 0.618 0.618 0.146
S 0.000 0.000 0.000
S 0.223 0.223 0.330
S 0.777 0.777 0.670 |
Below is a description of a material. | The chemical formula is: TbSF.
The XRD pattern shows main peaks at: 26.1°(0.32), 26.9°(1.0), 33.4°(0.52), 35.3°(0.16), 42.8°(0.53), 46.5°(0.35), 47.9°(0.26), 55.4°(0.17), 55.8°(0.29), 59.3°(0.07), 60.9°(0.06), 69.0°(0.22), 70.1°(0.08), 73.6°(0.07), 76.2°(0.07), 79.9°(0.09), 85.8°(0.15), 88.4°(0.06).
Generate atomic str... | JVASP-3135 | 3.80 3.80 6.84
90 90 90
Tb 0.000 0.500 0.772
Tb 0.500 0.000 0.228
S 0.500 0.000 0.645
S 0.000 0.500 0.355
F 0.500 0.500 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnCoN2.
The XRD pattern shows main peaks at: 36.5°(1.0), 42.5°(0.26), 61.5°(0.09), 73.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169397 | 3.02 5.19 18.02
15 120 106
Mn 0.000 0.861 0.065
Co 0.000 0.889 0.560
N 0.000 0.140 0.185
N -0.000 0.110 0.690 |
Below is a description of a material. | The chemical formula is: MnTePd.
The XRD pattern shows main peaks at: 24.3°(0.49), 28.2°(0.08), 40.3°(1.0), 47.6°(0.26), 58.3°(0.16), 64.1°(0.09), 73.2°(0.34), 87.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18303 | 4.48 4.48 4.48
60 60 60
Mn 0.500 0.500 0.500
Te 0.000 0.000 0.000
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: RbAuS2.
The XRD pattern shows main peaks at: 13.1°(0.29), 19.4°(0.29), 23.5°(1.0), 24.8°(0.23), 26.4°(0.21), 28.1°(0.08), 34.4°(0.68), 36.5°(0.45), 39.4°(0.17), 41.7°(0.2), 44.9°(0.15), 47.1°(0.08), 48.1°(0.09), 50.8°(0.09), 52.0°(0.24), 54.8°(0.28), 56.7°(0.18), 66.2°(0.08), 68.3°(0.09), 70.1°... | JVASP-121310 | 3.59 4.57 6.75
90 90 90
Rb 0.000 0.500 0.500
Au 0.000 0.000 0.000
S 0.500 0.000 0.767
S 0.500 0.000 0.233 |
Below is a description of a material. | The chemical formula is: BaMg2Si2.
The XRD pattern shows main peaks at: 16.0°(0.25), 20.7°(0.56), 27.1°(0.38), 30.9°(0.7), 31.6°(1.0), 32.2°(0.09), 38.7°(0.42), 45.2°(0.32), 50.3°(0.35), 55.8°(0.15), 61.0°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15975 | 4.66 4.66 6.46
111 111 90
Ba 0.000 0.000 0.000
Mg 0.750 0.250 0.500
Mg 0.250 0.750 0.500
Si 0.613 0.613 0.226
Si 0.387 0.387 0.774 |
Below is a description of a material. | The chemical formula is: Mn5CoO12.
The XRD pattern shows main peaks at: 20.1°(1.0), 36.8°(0.26), 38.7°(0.27), 40.1°(0.07), 43.5°(0.05), 45.6°(0.26), 50.3°(0.22), 61.5°(0.12), 65.0°(0.17), 67.9°(0.07), 68.8°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-30333 | 4.97 4.97 9.00
95 100 60
Mn 0.167 0.667 0.500
Mn 0.667 0.667 -0.000
Mn 0.333 0.333 0.000
Mn 0.833 0.333 0.500
Mn 0.500 -0.000 0.500
Co 0.000 0.000 0.000
O -0.035 0.331 0.894
O 0.366 -0.000 0.106
O 0.704 0.331 0.106
O 0.869 0.667 0.608
O 0.202 -0.000 0.608
O 0.131 0.333 0.392
O 0.465 0.667 0.392
O 0.634 0.000 0.894
O 0.... |
Below is a description of a material. | The chemical formula is: Ru.
The XRD pattern shows main peaks at: 38.1°(0.25), 42.1°(0.24), 43.8°(1.0), 58.1°(0.14), 68.9°(0.18), 78.0°(0.18), 84.1°(0.2), 85.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-987 | 2.73 2.73 4.30
90 90 119
Ru 0.333 0.667 0.250
Ru 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: SnO2.
The XRD pattern shows main peaks at: 26.2°(1.0), 33.3°(0.84), 37.4°(0.24), 50.9°(0.64), 53.9°(0.16), 56.7°(0.08), 60.9°(0.15), 63.5°(0.17), 64.9°(0.22), 69.9°(0.08), 77.4°(0.15), 82.1°(0.1), 88.0°(0.13), 89.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-93336 | 3.25 4.81 4.81
90 90 90
Sn 0.500 0.500 0.500
Sn 0.000 0.000 0.000
O 0.500 0.194 0.806
O 0.500 0.806 0.194
O 0.000 0.306 0.306
O 0.000 0.694 0.694 |
Below is a description of a material. | The chemical formula is: CrGeO3.
The XRD pattern shows main peaks at: 23.9°(0.14), 34.1°(1.0), 49.0°(0.41), 55.2°(0.05), 61.0°(0.34), 71.8°(0.22), 81.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180497 | 3.72 3.72 3.72
90 90 90
Cr 0.000 0.000 0.000
Ge 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Mo3WSe4S4.
The XRD pattern shows main peaks at: 2.8°(1.0), 5.5°(0.39), 8.3°(0.13), 13.8°(0.18), 31.7°(0.08), 56.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28585 | 3.26 3.26 32.02
89 90 119
Mo 0.333 0.666 0.079
Mo 0.667 0.334 0.279
Mo 0.667 0.333 0.673
W 0.333 0.666 0.472
Se 0.333 0.667 0.726
Se 0.667 0.333 0.026
Se 0.667 0.333 0.132
Se 0.334 0.667 0.620
S 0.333 0.667 0.327
S 0.667 0.333 0.424
S 0.667 0.333 0.521
S 0.333 0.667 0.231 |
Below is a description of a material. | The chemical formula is: Mn3Sb.
The XRD pattern shows main peaks at: 25.8°(0.13), 29.9°(0.07), 42.8°(1.0), 62.2°(0.16), 78.5°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108656 | 4.22 4.22 4.22
60 60 60
Mn 0.750 0.750 0.750
Mn 0.250 0.250 0.250
Mn 0.000 0.000 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Fe2O2F5.
The XRD pattern shows main peaks at: 19.5°(0.76), 21.4°(0.29), 26.5°(0.35), 28.2°(1.0), 29.5°(0.36), 30.7°(0.27), 31.1°(0.13), 36.3°(0.13), 39.7°(0.36), 43.7°(0.12), 48.0°(0.14), 51.6°(0.21), 53.6°(0.11), 54.6°(0.49), 57.1°(0.08), 58.3°(0.2), 61.2°(0.08), 63.9°(0.14), 64.9°(0.09).
Gene... | JVASP-146648 | 7.31 7.31 7.31
140 117 76
Fe 0.500 0.500 -0.000
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.500
Fe -0.000 0.500 0.000
O 0.537 0.939 0.403
O 0.463 0.061 0.597
O 0.037 0.634 0.597
O 0.963 0.366 0.403
F 0.300 0.133 0.188
F 0.054 0.867 0.167
F 0.800 0.613 0.167
F 0.554 0.387 0.188
F 0.446 0.613 0.812
F 0.946 0.133 0.833
F 0.200 ... |
Below is a description of a material. | The chemical formula is: IrAu3.
The XRD pattern shows main peaks at: 38.1°(1.0), 44.3°(0.51), 64.5°(0.32), 77.4°(0.4), 81.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126899 | 4.09 4.09 4.09
90 90 90
Ir 0.000 0.000 0.000
Au 0.000 0.500 0.500
Au 0.500 0.000 0.500
Au 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CrPO5.
The XRD pattern shows main peaks at: 18.4°(0.51), 19.2°(0.36), 19.7°(0.52), 24.6°(0.19), 25.6°(0.68), 26.6°(1.0), 27.4°(0.42), 28.3°(0.19), 28.8°(0.21), 30.4°(0.64), 35.7°(0.18), 36.1°(0.19), 39.4°(0.1), 40.0°(0.21), 41.3°(0.12), 43.2°(0.12), 44.3°(0.11), 48.4°(0.14), 59.4°(0.1), 59.8°(0... | JVASP-9515 | 5.00 5.00 7.22
108 103 92
Cr 0.497 0.949 0.464
Cr 0.935 0.498 0.977
P 0.070 0.894 0.750
P 0.958 0.156 0.283
O 0.137 0.190 0.916
O 0.754 0.829 0.648
O 0.871 0.869 0.111
O 0.275 0.207 0.385
O 0.796 0.168 0.443
O 0.890 0.406 0.203
O 0.236 0.873 0.595
O 0.148 0.662 0.847
O 0.424 0.692 0.262
O 0.651 0.373 0.814 |
Below is a description of a material. | The chemical formula is: LiGeNO.
The XRD pattern shows main peaks at: 15.5°(0.48), 23.5°(1.0), 29.1°(0.4), 31.3°(0.19), 33.1°(0.3), 35.6°(0.32), 36.1°(0.21), 37.8°(0.41), 46.6°(0.16), 47.0°(0.22), 47.7°(0.09), 48.1°(0.08), 49.4°(0.1), 56.9°(0.21), 60.3°(0.1), 64.3°(0.09), 65.4°(0.2), 68.9°(0.17), 72.1°(0.16), 75.8°(0.0... | JVASP-159668 | 3.07 5.04 5.72
90 89 90
Li 0.000 0.494 0.337
Li -0.000 0.994 0.663
Ge 0.500 0.996 0.173
Ge 0.500 0.496 0.827
N 0.000 0.898 0.319
N -0.000 0.398 0.681
O 0.500 0.367 0.134
O 0.500 0.867 0.866 |
Below is a description of a material. | The chemical formula is: LaAlCuNi3.
The XRD pattern shows main peaks at: 21.8°(0.21), 29.4°(0.14), 30.0°(0.58), 34.2°(0.14), 34.9°(0.3), 35.9°(0.3), 39.7°(0.24), 40.9°(1.0), 41.6°(0.76), 42.3°(0.53), 44.4°(0.55), 57.7°(0.15), 58.3°(0.15), 61.1°(0.16), 65.7°(0.13), 67.5°(0.14), 68.8°(0.19), 79.4°(0.18), 80.3°(0.13), 88.... | JVASP-99973 | 4.08 5.01 5.14
62 90 90
La 0.000 0.500 0.500
Al 0.500 0.000 0.000
Cu 0.500 -0.000 0.500
Ni 0.000 0.172 0.155
Ni 0.000 0.828 0.845
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ta3AlCr8.
The XRD pattern shows main peaks at: 11.1°(0.23), 21.2°(0.24), 22.3°(0.1), 24.0°(0.31), 31.0°(0.26), 37.1°(0.64), 40.2°(0.99), 43.1°(0.17), 43.7°(1.0), 44.6°(0.53), 45.6°(0.08), 62.4°(0.13), 66.8°(0.11), 68.9°(0.35), 71.4°(0.21), 74.9°(0.25), 79.0°(0.2).
Generate atomic structure desc... | JVASP-119139 | 4.85 4.85 7.96
90 90 120
Ta 0.000 0.000 0.442
Ta 0.000 0.000 0.061
Ta 0.333 0.667 0.936
Al 0.333 0.667 0.564
Cr 0.667 0.333 0.499
Cr 0.667 0.333 1.000
Cr 0.836 0.672 0.748
Cr 0.836 0.164 0.748
Cr 0.328 0.164 0.748
Cr 0.496 0.992 0.252
Cr 0.496 0.504 0.252
Cr 0.008 0.504 0.252 |
Below is a description of a material. | The chemical formula is: BeCo2Os.
The XRD pattern shows main peaks at: 28.6°(1.0), 44.6°(0.87), 45.5°(0.27), 49.9°(0.15), 53.1°(0.26), 61.4°(0.24), 69.8°(0.08), 72.5°(0.14), 75.8°(0.18), 78.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71940 | 4.40 4.40 4.40
133 133 67
Be 0.750 0.250 0.500
Co 0.000 0.000 0.000
Co 0.500 0.500 0.000
Os 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Tb4Ni3Bi8.
The XRD pattern shows main peaks at: 27.4°(0.18), 29.4°(0.57), 33.9°(1.0), 39.7°(0.52), 49.0°(0.07), 57.5°(0.2), 65.9°(0.14), 68.4°(0.26), 85.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166368 | 4.54 4.54 18.70
90 90 90
Tb 0.750 0.750 0.387
Tb 0.750 0.750 0.889
Tb 0.250 0.250 0.111
Tb 0.250 0.250 0.613
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.000
Ni 0.250 0.750 0.500
Bi 0.750 0.750 0.071
Bi 0.750 0.750 0.576
Bi 0.250 0.250 0.424
Bi 0.250 0.250 0.929
Bi 0.750 0.250 0.249
Bi 0.750 0.250 0.751
Bi 0.250 0.750 0.249
B... |
Below is a description of a material. | The chemical formula is: Cr4Te3S.
The XRD pattern shows main peaks at: 14.8°(0.08), 28.7°(0.06), 29.8°(1.0), 31.2°(0.07), 35.5°(0.1), 38.5°(0.06), 39.1°(0.66), 46.1°(0.33), 51.5°(0.21), 55.7°(0.14), 59.4°(0.07), 61.8°(0.11), 78.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-106824 | 7.37 7.37 7.37
148 124 64
Cr 0.094 0.122 0.972
Cr 0.645 0.615 0.030
Cr 0.414 0.385 0.030
Cr 0.849 0.878 0.972
Te 0.161 0.500 0.661
Te 0.096 0.762 0.334
Te 0.572 0.238 0.334
S 0.676 -0.000 0.676 |
Below is a description of a material. | The chemical formula is: LaAgPb.
The XRD pattern shows main peaks at: 22.6°(0.09), 23.7°(0.27), 30.9°(1.0), 36.5°(0.88), 40.3°(0.25), 43.3°(0.1), 46.1°(0.07), 48.6°(0.26), 55.5°(0.11), 60.2°(0.18), 62.2°(0.25), 62.9°(0.12), 65.7°(0.16), 68.3°(0.12), 75.0°(0.07), 77.6°(0.09), 84.0°(0.07), 85.8°(0.11), 86.4°(0.1).
Genera... | JVASP-96896 | 4.92 4.92 7.88
90 90 120
La 0.000 0.000 0.012
La 0.000 0.000 0.512
Ag 0.667 0.333 0.315
Ag 0.333 0.667 0.815
Pb 0.333 0.667 0.230
Pb 0.667 0.333 0.730 |
Below is a description of a material. | The chemical formula is: RbDyO2.
The XRD pattern shows main peaks at: 13.6°(0.34), 27.4°(0.43), 29.9°(0.09), 31.0°(0.75), 34.9°(1.0), 47.9°(0.35), 52.4°(0.31), 56.0°(0.18), 60.1°(0.28), 62.1°(0.12), 64.5°(0.16), 73.7°(0.1), 75.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-1543 | 6.82 6.82 6.82
29 29 29
Rb 0.000 0.000 0.000
Dy 0.500 0.500 0.500
O 0.774 0.774 0.774
O 0.226 0.226 0.226 |
Below is a description of a material. | The chemical formula is: Ba2LuCu3O6.
The XRD pattern shows main peaks at: 7.3°(0.53), 22.1°(0.1), 23.1°(0.15), 32.2°(1.0), 32.9°(0.63), 37.3°(0.06), 37.9°(0.26), 40.0°(0.16), 44.9°(0.06), 47.2°(0.32), 58.3°(0.37), 62.1°(0.12), 69.0°(0.1), 78.6°(0.09).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-12395 | 3.85 3.85 12.05
90 90 90
Ba 0.500 0.500 0.199
Ba 0.500 0.500 0.801
Lu 0.500 0.500 0.500
Cu 0.000 0.000 0.000
Cu 0.000 0.000 0.372
Cu 0.000 0.000 0.628
O 0.500 0.000 0.615
O 0.000 0.500 0.615
O 0.500 0.000 0.385
O 0.000 0.500 0.385
O 0.000 0.000 0.150
O 0.000 0.000 0.850 |
Below is a description of a material. | The chemical formula is: Ti6O.
The XRD pattern shows main peaks at: 35.3°(0.17), 38.0°(0.21), 40.2°(1.0), 52.8°(0.16), 63.3°(0.16), 76.2°(0.15), 77.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-57883 | 5.09 5.09 9.48
90 90 120
Ti 0.668 0.668 0.131
Ti 0.000 0.668 0.369
Ti 0.668 0.000 0.369
Ti 0.332 0.332 0.369
Ti 0.668 0.000 0.869
Ti 0.000 0.668 0.869
Ti 0.332 0.332 0.869
Ti -0.000 0.332 0.631
Ti 0.332 0.000 0.631
Ti 0.668 0.668 0.631
Ti -0.000 0.332 0.131
Ti 0.332 0.000 0.131
O 0.000 0.000 0.500
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiAc2Pb.
The XRD pattern shows main peaks at: 18.8°(0.22), 21.7°(0.15), 30.9°(1.0), 36.5°(0.06), 44.3°(0.2), 55.0°(0.42), 64.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110815 | 5.78 5.78 5.78
59 59 60
Li 0.500 0.500 0.500
Ac 0.750 0.750 0.750
Ac 0.250 0.250 0.250
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2MnF4.
The XRD pattern shows main peaks at: 20.0°(0.24), 23.7°(1.0), 30.6°(0.17), 37.4°(0.22), 40.7°(0.36), 43.8°(0.59), 50.4°(0.25), 56.5°(0.11), 61.3°(0.34), 63.7°(0.14), 78.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106471 | 5.31 5.31 5.31
134 134 66
Li 0.250 0.750 0.500
Li 0.750 0.250 0.500
Mn 0.000 0.000 0.000
F 0.760 0.760 0.000
F 0.240 0.240 -0.000
F 0.000 0.500 0.500
F 0.500 -0.000 0.500 |
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