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: ScRuAu.
The XRD pattern shows main peaks at: 23.2°(0.4), 37.8°(1.0), 40.7°(0.63), 47.4°(0.07), 56.8°(0.32), 61.2°(0.06), 64.2°(0.05), 72.2°(0.31), 74.1°(0.1), 76.1°(0.21), 88.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186940 | 4.43 4.43 3.03
90 90 120
Sc 0.667 0.333 0.500
Ru 0.333 0.667 0.500
Au 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: BaLi2Sn.
The XRD pattern shows main peaks at: 24.0°(1.0), 34.2°(0.95), 42.2°(0.29), 49.2°(0.16), 55.4°(0.39), 61.3°(0.33), 72.1°(0.11), 77.2°(0.2), 82.3°(0.15), 87.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179139 | 5.24 5.24 5.24
60 60 60
Ba -0.000 -0.000 0.000
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
Sn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ba2TaBi.
The XRD pattern shows main peaks at: 30.1°(1.0), 43.1°(0.19), 53.5°(0.37), 62.6°(0.12), 71.0°(0.18), 86.8°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65521 | 5.94 5.94 5.94
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Ta 0.500 0.500 0.500
Bi 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbBrO2.
The XRD pattern shows main peaks at: 15.5°(0.06), 28.9°(1.0), 31.3°(0.28), 34.5°(0.6), 47.3°(0.36), 49.5°(0.21), 54.3°(0.22), 58.3°(0.27), 59.8°(0.18), 72.7°(0.06), 76.1°(0.08), 76.5°(0.15), 80.0°(0.06), 81.2°(0.07), 83.0°(0.08), 86.3°(0.06).
Generate atomic structure description with l... | JVASP-179810 | 3.68 3.68 5.71
90 90 90
Rb 0.500 0.500 0.536
Br 0.000 0.000 0.068
O -0.000 0.000 0.375
O 0.500 0.500 0.030 |
Below is a description of a material. | The chemical formula is: Ca3SnH2.
The XRD pattern shows main peaks at: 12.7°(0.05), 15.7°(0.1), 20.1°(0.11), 21.3°(0.22), 25.7°(0.29), 30.9°(1.0), 31.7°(0.05), 34.3°(0.23), 36.0°(0.24), 41.0°(0.08), 41.7°(0.06), 43.3°(0.15), 47.6°(0.05), 51.0°(0.12), 54.4°(0.08), 59.3°(0.15), 61.0°(0.08), 62.9°(0.12).
Generate atomic s... | JVASP-37879 | 5.23 7.16 7.16
104 90 90
Ca 0.250 0.890 0.110
Ca 0.250 0.409 0.186
Ca 0.750 0.186 0.409
Ca 0.250 0.814 0.591
Ca 0.750 0.591 0.814
Ca 0.750 0.110 0.890
Sn 0.750 0.692 0.308
Sn 0.250 0.308 0.692
H 0.000 0.152 0.152
H 0.500 0.152 0.152
H 0.000 0.848 0.848
H 0.500 0.848 0.848 |
Below is a description of a material. | The chemical formula is: LiBeBr.
The XRD pattern shows main peaks at: 15.5°(1.0), 28.5°(0.85), 31.3°(0.19), 36.3°(0.56), 39.2°(0.25), 42.4°(0.28), 48.7°(0.24), 51.0°(0.17), 56.6°(0.09), 59.1°(0.1), 63.7°(0.08), 64.6°(0.16), 66.1°(0.09), 69.1°(0.16), 77.8°(0.13), 78.8°(0.06).
Generate atomic structure description with l... | JVASP-67836 | 6.16 6.16 6.16
149 149 43
Li 0.626 0.626 -0.000
Be 0.993 0.993 -0.000
Br 0.381 0.381 -0.000 |
Below is a description of a material. | The chemical formula is: SrYBe2.
The XRD pattern shows main peaks at: 10.3°(0.21), 20.8°(0.38), 29.8°(1.0), 31.4°(0.21), 35.0°(0.35), 39.8°(0.3), 42.4°(0.16), 45.3°(0.2), 51.4°(0.34), 53.6°(0.05), 57.5°(0.11), 61.8°(0.08), 66.1°(0.21), 67.0°(0.09), 68.7°(0.1), 69.1°(0.1), 74.0°(0.06), 80.7°(0.12), 82.4°(0.06).
Generate... | JVASP-69982 | 3.21 3.21 8.56
90 90 90
Sr 0.000 0.000 0.440
Y 0.500 0.500 0.832
Be 0.000 0.000 0.064
Be 0.500 0.500 0.165 |
Below is a description of a material. | The chemical formula is: HgCl.
The XRD pattern shows main peaks at: 22.0°(1.0), 26.8°(0.64), 31.3°(0.91), 35.0°(0.62), 41.7°(0.83), 44.9°(0.31), 50.5°(0.25), 53.0°(0.36), 55.3°(0.09), 58.1°(0.33), 60.2°(0.14), 64.9°(0.21), 71.9°(0.15), 73.9°(0.14), 74.2°(0.15), 76.3°(0.08), 78.2°(0.13), 80.5°(0.23), 86.9°(0.06).
Genera... | JVASP-118544 | 4.04 4.04 3.32
90 90 90
Hg 0.000 0.000 0.000
Cl 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ti2InNi.
The XRD pattern shows main peaks at: 24.0°(0.09), 27.8°(0.14), 39.7°(1.0), 57.5°(0.17), 65.0°(0.05), 72.1°(0.31), 85.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35675 | 4.54 4.54 4.54
60 60 60
Ti 0.000 0.000 0.000
Ti 0.500 0.500 0.500
In 0.250 0.250 0.250
Ni 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NdMo6S8.
The XRD pattern shows main peaks at: 13.6°(0.93), 19.0°(0.73), 19.4°(0.57), 23.1°(0.24), 23.8°(0.28), 30.4°(0.2), 30.9°(0.74), 33.7°(0.68), 38.6°(0.09), 40.7°(0.6), 41.9°(0.82), 43.6°(0.62), 44.1°(0.35), 46.2°(1.0), 47.2°(0.16), 50.9°(0.2), 52.8°(0.18), 60.2°(0.31), 63.1°(0.2), 71.5°(0... | JVASP-152790 | 6.53 6.53 6.53
88 88 88
Nd 0.000 0.000 0.000
Mo 0.420 0.227 0.562
Mo 0.562 0.420 0.227
Mo 0.227 0.562 0.420
Mo 0.580 0.773 0.438
Mo 0.438 0.580 0.773
Mo 0.773 0.438 0.580
S 0.242 0.242 0.242
S 0.758 0.758 0.758
S 0.374 0.752 0.125
S 0.125 0.374 0.752
S 0.752 0.125 0.374
S 0.626 0.248 0.875
S 0.875 0.626 0.248
S 0.248 0... |
Below is a description of a material. | The chemical formula is: VPO5.
The XRD pattern shows main peaks at: 18.7°(0.27), 19.2°(0.28), 25.8°(0.25), 26.7°(1.0), 27.7°(0.1), 28.7°(0.62), 29.3°(0.23), 35.8°(0.15), 39.7°(0.08), 41.8°(0.12), 45.6°(0.11), 46.0°(0.09), 46.6°(0.07), 47.8°(0.11), 55.1°(0.12), 59.4°(0.11), 60.0°(0.09), 60.7°(0.17), 75.9°(0.09).
Generat... | JVASP-9517 | 5.03 5.03 7.28
109 109 86
V 0.947 0.483 0.465
V 0.482 0.948 0.965
P 0.873 0.136 0.754
P 0.135 0.873 0.254
O 0.165 0.163 0.925
O 0.831 0.848 0.579
O 0.848 0.832 0.079
O 0.163 0.165 0.425
O 0.164 0.643 0.353
O 0.377 0.854 0.167
O 0.853 0.377 0.667
O 0.643 0.165 0.853
O 0.673 0.357 0.263
O 0.356 0.673 0.764 |
Below is a description of a material. | The chemical formula is: Al3P.
The XRD pattern shows main peaks at: 38.5°(1.0), 44.7°(0.47), 65.1°(0.31), 78.2°(0.33), 82.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125529 | 4.05 4.05 4.05
90 90 90
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
Al 0.500 0.500 0.000
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sc2CCl.
The XRD pattern shows main peaks at: 30.6°(0.16), 31.7°(0.15), 35.9°(1.0), 38.7°(0.36), 43.3°(0.15), 45.6°(0.08), 49.5°(0.16), 53.7°(0.33), 66.2°(0.13), 68.1°(0.06), 71.3°(0.18), 72.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187877 | 3.42 3.42 6.57
74 74 60
Sc 0.228 0.228 0.317
Sc 0.772 0.772 0.683
C 0.500 0.500 0.500
Cl 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: LiAc3.
The XRD pattern shows main peaks at: 7.3°(0.41), 14.7°(0.14), 22.1°(0.17), 27.3°(1.0), 29.6°(0.27), 30.2°(0.76), 34.6°(0.42), 46.3°(0.33), 51.9°(0.11), 54.6°(0.14), 56.0°(0.27), 56.3°(0.13), 59.1°(0.09), 67.5°(0.09), 74.4°(0.13), 75.9°(0.11), 78.3°(0.08), 85.8°(0.1).
Generate atomic stru... | JVASP-124946 | 3.92 3.92 12.07
90 90 120
Li 0.000 0.000 0.000
Ac 0.667 0.333 0.233
Ac 0.000 0.000 0.500
Ac 0.333 0.667 0.767 |
Below is a description of a material. | The chemical formula is: Li8Se.
The XRD pattern shows main peaks at: 4.9°(1.0), 9.9°(0.26), 14.9°(0.1), 19.9°(0.05), 29.4°(0.12), 30.7°(0.11), 32.7°(0.08), 35.4°(0.06), 38.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130715 | 3.56 3.56 17.87
90 90 120
Li 0.000 0.000 0.196
Li 0.000 0.000 0.058
Li 0.333 0.667 0.412
Li 0.667 0.333 0.540
Li 0.667 0.333 0.293
Li 0.000 0.000 0.790
Li 0.333 0.667 0.913
Li 0.333 0.667 0.665
Se 0.667 0.333 0.133 |
Below is a description of a material. | The chemical formula is: K2Te3.
The XRD pattern shows main peaks at: 14.1°(0.11), 17.5°(0.71), 21.4°(0.12), 22.1°(0.06), 26.9°(0.06), 28.6°(0.66), 31.0°(1.0), 33.0°(0.09), 35.5°(0.28), 39.6°(0.15), 40.1°(0.37), 43.6°(0.09), 49.4°(0.06), 54.2°(0.11), 54.6°(0.26).
Generate atomic structure description with lattice length... | JVASP-175100 | 16.07 10.12 4.56
90 90 90
K 0.376 0.029 0.274
K 0.876 0.029 0.226
K 0.376 0.471 0.274
K 0.124 0.529 0.774
K 0.624 0.971 0.726
K 0.124 0.971 0.774
K 0.624 0.529 0.726
K 0.876 0.471 0.226
Te 0.483 0.250 0.800
Te 0.983 0.250 0.700
Te 0.017 0.750 0.300
Te 0.517 0.750 0.200
Te 0.262 0.250 0.710
Te 0.762 0.250 0.790
Te 0.238... |
Below is a description of a material. | The chemical formula is: LiMo6S8.
The XRD pattern shows main peaks at: 13.6°(1.0), 30.4°(0.12), 33.6°(0.26), 34.8°(0.12), 38.5°(0.06), 41.1°(0.19), 43.0°(0.12), 43.6°(0.08), 44.6°(0.08), 46.2°(0.34), 52.0°(0.1), 60.4°(0.06), 65.1°(0.07), 69.7°(0.06).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-133149 | 6.50 6.50 6.50
91 91 91
Li 0.000 0.000 0.000
Mo 0.781 0.592 0.449
Mo 0.449 0.781 0.592
Mo 0.592 0.449 0.781
Mo 0.219 0.408 0.551
Mo 0.551 0.219 0.408
Mo 0.408 0.551 0.219
S 0.780 0.780 0.780
S 0.220 0.220 0.220
S 0.265 0.617 0.869
S 0.869 0.265 0.617
S 0.617 0.869 0.265
S 0.735 0.383 0.131
S 0.131 0.735 0.383
S 0.383 0... |
Below is a description of a material. | The chemical formula is: InGa3.
The XRD pattern shows main peaks at: 20.1°(0.05), 35.2°(1.0), 40.9°(0.5), 59.2°(0.32), 70.8°(0.37), 74.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-104848 | 4.41 4.41 4.41
90 90 90
In 0.000 0.000 0.000
Ga 0.000 0.500 0.500
Ga 0.500 0.000 0.500
Ga 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CrO2.
The XRD pattern shows main peaks at: 32.8°(1.0), 38.1°(0.4), 42.8°(0.17), 47.1°(0.09), 54.9°(0.42), 65.5°(0.57), 68.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-151100 | 4.73 4.73 4.73
90 90 90
Cr 0.000 0.000 0.000
Cr 0.500 0.000 0.500
Cr 0.000 0.500 0.500
Cr 0.500 0.500 0.000
O 0.350 0.350 0.350
O 0.150 0.650 0.850
O 0.650 0.850 0.150
O 0.850 0.150 0.650
O 0.650 0.650 0.650
O 0.850 0.350 0.150
O 0.350 0.150 0.850
O 0.150 0.850 0.350 |
Below is a description of a material. | The chemical formula is: Y2BeBi.
The XRD pattern shows main peaks at: 11.0°(0.32), 22.2°(0.11), 24.9°(0.32), 27.3°(0.54), 33.6°(1.0), 35.5°(0.5), 37.3°(0.08), 42.2°(0.23), 49.6°(0.27), 51.1°(0.18), 57.7°(0.07), 58.9°(0.16), 62.5°(0.39), 63.5°(0.16), 68.4°(0.07), 75.2°(0.06), 84.9°(0.12), 85.8°(0.16).
Generate atomic st... | JVASP-70865 | 3.57 3.57 8.03
90 90 90
Y 0.000 0.000 0.981
Y 0.500 0.500 0.299
Be 0.000 0.000 0.525
Bi 0.500 0.500 0.694 |
Below is a description of a material. | The chemical formula is: RbLuBeF6.
The XRD pattern shows main peaks at: 13.7°(0.25), 15.2°(0.18), 15.8°(0.47), 20.7°(0.37), 21.7°(0.52), 22.1°(0.34), 27.9°(0.48), 28.9°(1.0), 30.0°(0.86), 31.1°(0.35), 40.7°(0.18), 42.2°(0.47), 44.2°(0.13), 49.4°(0.21), 50.0°(0.18), 50.4°(0.16), 51.4°(0.2), 53.2°(0.19), 54.0°(0.16), 54.... | JVASP-178074 | 5.75 6.40 7.05
113 90 90
Rb 0.750 0.081 0.214
Rb 0.250 0.919 0.786
Lu 0.750 0.392 0.823
Lu 0.250 0.608 0.177
Be 0.750 0.767 0.535
Be 0.250 0.233 0.465
F 0.968 0.759 0.400
F 0.032 0.241 0.600
F 0.468 0.241 0.600
F 0.532 0.759 0.400
F 0.750 0.566 0.604
F 0.250 0.434 0.396
F 0.999 0.674 0.968
F 0.001 0.326 0.032
F 0.499 0... |
Below is a description of a material. | The chemical formula is: CeSiGe.
The XRD pattern shows main peaks at: 22.4°(0.1), 23.5°(0.14), 28.0°(0.45), 33.0°(1.0), 36.8°(0.51), 44.1°(0.36), 47.4°(0.26), 58.8°(0.27), 64.2°(0.11), 66.8°(0.19), 74.1°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102146 | 8.12 8.12 8.12
150 150 41
Ce 0.582 0.582 0.000
Ce 0.332 0.832 0.500
Si 0.001 0.001 -0.000
Si 0.751 0.251 0.500
Ge 0.164 0.164 0.000
Ge 0.914 0.414 0.500 |
Below is a description of a material. | The chemical formula is: MgBr2.
The XRD pattern shows main peaks at: 19.7°(0.26), 20.6°(1.0), 28.6°(0.23), 34.4°(0.79), 40.4°(0.99), 41.9°(0.15), 55.3°(0.37), 61.6°(0.14), 65.7°(0.23), 72.5°(0.09), 75.5°(0.15), 76.3°(0.15), 77.3°(0.14), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-120316 | 5.22 5.22 4.31
90 90 120
Mg 0.000 0.000 0.000
Br 0.333 0.667 0.000
Br 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Al2Zn3N4.
The XRD pattern shows main peaks at: 19.8°(0.25), 21.3°(0.1), 26.1°(0.42), 28.5°(0.11), 34.3°(1.0), 35.4°(0.64), 36.1°(0.39), 40.1°(0.3), 41.6°(0.21), 43.4°(0.2), 43.8°(0.13), 45.7°(0.1), 46.4°(0.51), 53.5°(0.18), 55.2°(0.15), 57.2°(0.11), 58.1°(0.1), 61.5°(0.19), 62.4°(0.2), 68.8°(0.... | JVASP-146505 | 6.27 8.99 5.29
90 93 135
Al 0.563 0.169 0.622
Al 0.437 0.606 0.878
Al 0.437 0.831 0.378
Al 0.563 0.394 0.122
Zn -0.000 0.355 0.250
Zn 0.224 0.270 0.588
Zn 0.000 0.645 0.750
Zn 0.776 0.730 0.412
Zn 0.224 0.954 0.088
Zn 0.776 0.046 0.912
N 0.386 0.770 0.019
N 0.207 0.888 0.489
N 0.793 0.681 0.011
N 0.793 0.112 0.511
N 0.... |
Below is a description of a material. | The chemical formula is: Mg2RhAu.
The XRD pattern shows main peaks at: 24.3°(0.22), 25.6°(0.4), 29.4°(0.6), 39.4°(1.0), 42.1°(0.44), 49.9°(0.28), 52.5°(0.11), 61.0°(0.15), 61.3°(0.14), 67.3°(0.11), 69.5°(0.2), 75.1°(0.31), 84.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-193511 | 4.29 4.62 4.62
55 62 62
Rh 0.750 0.750 0.750
Mg 0.000 0.000 0.000
Mg 0.500 0.500 0.500
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: KCoAu3C6N6.
The XRD pattern shows main peaks at: 11.6°(1.0), 19.2°(0.81), 23.4°(0.42), 29.1°(0.4), 30.7°(0.64), 33.0°(0.97), 35.4°(0.11), 39.0°(0.82), 47.6°(0.32), 54.7°(0.14), 56.1°(0.18), 58.0°(0.27), 60.3°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-86775 | 6.72 6.72 7.60
90 90 120
K 0.333 0.667 0.500
Co 0.000 0.000 0.500
Au 0.504 0.007 0.000
Au 0.993 0.496 0.000
Au 0.504 0.496 0.000
C 0.667 0.660 0.783
C 0.992 0.333 0.783
C 0.340 0.333 0.217
C 0.340 0.008 0.783
C 0.667 0.008 0.217
C 0.992 0.660 0.217
N 0.236 0.003 0.658
N 0.997 0.764 0.342
N 0.768 0.003 0.342
N 0.236 0.2... |
Below is a description of a material. | The chemical formula is: PrGe3Rh.
The XRD pattern shows main peaks at: 21.8°(0.1), 28.3°(0.21), 33.5°(1.0), 35.5°(0.1), 40.5°(0.67), 46.0°(0.2), 49.5°(0.16), 53.4°(0.32), 54.9°(0.11), 58.6°(0.21), 62.5°(0.15), 69.3°(0.2), 87.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-16905 | 4.45 4.45 5.96
111 111 90
Pr 0.998 0.998 0.996
Ge 0.260 0.760 0.521
Ge 0.760 0.260 0.521
Ge 0.420 0.420 0.840
Rh 0.658 0.658 0.315 |
Below is a description of a material. | The chemical formula is: PbICl.
The XRD pattern shows main peaks at: 18.0°(0.62), 26.0°(0.57), 31.4°(0.98), 31.8°(0.33), 36.5°(0.11), 41.2°(1.0), 45.3°(0.13), 53.4°(0.08), 56.0°(0.2), 62.7°(0.29), 63.3°(0.29), 65.6°(0.12), 71.8°(0.18), 81.1°(0.13), 89.5°(0.12).
Generate atomic structure description with lattice lengths... | JVASP-115872 | 5.69 5.69 3.43
90 90 120
Pb 0.667 0.333 0.000
I 0.333 0.667 0.000
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiInCu2.
The XRD pattern shows main peaks at: 24.7°(0.13), 40.9°(1.0), 59.3°(0.16), 74.5°(0.29), 88.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193550 | 4.41 4.41 4.41
59 60 60
Ti 0.750 0.750 0.750
Cu -0.000 0.000 0.000
Cu 0.500 0.500 0.500
In 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: RbS.
The XRD pattern shows main peaks at: 24.9°(1.0), 27.6°(0.1), 29.6°(0.09), 30.8°(0.06), 35.1°(0.5), 36.0°(0.29), 43.5°(0.18), 46.6°(0.12), 49.8°(0.15), 51.2°(0.08), 54.3°(0.06), 57.1°(0.14), 62.4°(0.08), 63.5°(0.07), 73.6°(0.07).
Generate atomic structure description with lattice lengths, a... | JVASP-10479 | 8.86 8.86 6.04
90 90 120
Rb -0.000 0.304 0.500
Rb 0.696 0.696 0.500
Rb 0.304 -0.000 0.500
Rb -0.000 0.639 0.000
Rb 0.361 0.361 0.000
Rb 0.639 -0.000 0.000
S 0.667 0.333 0.321
S 0.667 0.333 0.679
S 0.333 0.667 0.679
S 0.333 0.667 0.321
S 0.000 0.000 0.823
S 0.000 0.000 0.177 |
Below is a description of a material. | The chemical formula is: Ta2MnOs.
The XRD pattern shows main peaks at: 24.6°(0.12), 40.7°(1.0), 48.2°(0.06), 58.9°(0.15), 74.1°(0.35), 88.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41088 | 4.43 4.43 4.43
60 60 60
Ta 0.000 0.000 0.000
Ta 0.500 0.500 0.500
Mn 0.250 0.250 0.250
Os 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: CrC.
The XRD pattern shows main peaks at: 34.2°(0.36), 38.4°(0.98), 52.3°(1.0), 69.4°(0.23), 72.1°(0.06), 79.7°(0.16), 82.2°(0.09), 84.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35703 | 2.71 2.71 2.62
90 90 120
Cr 0.000 0.000 0.000
C 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: LaPd2.
The XRD pattern shows main peaks at: 19.9°(0.06), 24.4°(0.39), 37.7°(1.0), 40.4°(0.17), 45.5°(0.26), 52.3°(0.12), 60.5°(0.07), 62.5°(0.2), 66.3°(0.08), 71.8°(0.15), 78.9°(0.19), 80.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78533 | 3.99 3.99 5.28
112 112 90
La 0.000 0.000 0.000
Pd 0.250 0.750 0.500
Pd 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: HfTc2Sb.
The XRD pattern shows main peaks at: 39.3°(1.0), 56.7°(0.18), 71.2°(0.34), 84.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41260 | 4.59 4.59 4.59
60 60 60
Hf 0.250 0.250 0.250
Tc 0.500 0.500 0.500
Tc 0.000 0.000 0.000
Sb 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ce2NiGe3.
The XRD pattern shows main peaks at: 24.7°(0.1), 32.8°(1.0), 43.5°(0.39), 55.5°(0.22), 63.0°(0.26), 72.7°(0.1), 88.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143507 | 4.19 8.33 8.33
120 90 90
Ce 0.500 0.000 0.000
Ce 0.500 0.000 0.500
Ce 0.500 0.500 0.500
Ce 0.500 0.500 0.000
Ni 0.000 0.667 0.333
Ni 0.000 0.333 0.667
Ge 0.000 0.827 0.173
Ge 0.000 0.827 0.655
Ge 0.000 0.345 0.173
Ge 0.000 0.173 0.827
Ge 0.000 0.655 0.827
Ge 0.000 0.173 0.345 |
Below is a description of a material. | The chemical formula is: CoP3.
The XRD pattern shows main peaks at: 17.5°(0.19), 26.8°(0.21), 29.1°(0.17), 35.5°(0.47), 37.9°(1.0), 41.9°(0.06), 52.1°(0.15), 52.6°(0.29), 53.1°(0.25), 57.2°(0.15), 60.6°(0.06), 65.1°(0.06), 69.1°(0.12), 81.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-123564 | 3.22 3.51 5.62
108 106 89
Co 0.369 0.854 0.739
P 0.588 0.115 0.176
P 0.143 0.576 0.286
P 0.899 0.455 0.798 |
Below is a description of a material. | The chemical formula is: MgVRh2.
The XRD pattern shows main peaks at: 29.3°(0.3), 41.9°(1.0), 51.9°(0.07), 60.8°(0.15), 68.9°(0.1), 76.5°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101585 | 4.31 4.31 4.31
60 59 60
Mg 0.500 0.500 0.500
V 0.000 0.000 0.000
Rh 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YTcAs.
The XRD pattern shows main peaks at: 24.4°(0.4), 28.2°(0.09), 40.3°(1.0), 47.7°(0.19), 58.4°(0.18), 64.2°(0.08), 73.4°(0.32), 78.6°(0.06), 87.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75472 | 4.47 4.47 4.47
60 60 60
Y 0.000 0.000 0.000
Tc 0.750 0.750 0.750
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: V9Cr3B8.
The XRD pattern shows main peaks at: 22.2°(0.14), 29.7°(0.06), 35.5°(0.54), 37.4°(0.5), 43.9°(1.0), 45.3°(0.29), 46.9°(0.77), 51.1°(0.22), 61.7°(0.18), 68.4°(0.08), 73.2°(0.1), 76.3°(0.1), 79.8°(0.1), 84.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-170048 | 3.01 5.66 11.32
89 90 90
V 0.500 0.178 0.341
V 0.500 0.179 0.839
V 0.500 0.822 0.159
V 0.500 0.821 0.661
V 0.500 0.319 0.088
V 0.500 0.321 0.591
V 0.500 0.681 0.412
V 0.500 0.679 0.909
V -0.000 0.500 0.250
Cr -0.000 0.500 0.750
Cr -0.000 1.000 0.999
Cr 0.000 0.000 0.501
B 0.000 0.613 0.054
B 0.000 0.612 0.557
B -0.000 ... |
Below is a description of a material. | The chemical formula is: TbNi2B2.
The XRD pattern shows main peaks at: 21.5°(0.27), 26.5°(0.36), 26.9°(0.11), 31.7°(0.26), 32.6°(0.59), 37.3°(0.74), 37.8°(1.0), 40.4°(0.18), 43.8°(0.38), 44.4°(0.32), 46.1°(0.14), 52.6°(0.17), 54.3°(0.13), 56.3°(0.2), 61.6°(0.18), 62.9°(0.33), 68.1°(0.17), 69.4°(0.14), 71.6°(0.1), 77.0°... | JVASP-61265 | 4.97 4.97 6.88
59 59 64
Tb 0.121 0.879 0.250
Tb 0.879 0.121 0.750
Ni 0.468 0.278 0.199
Ni 0.722 0.532 0.301
Ni 0.532 0.722 0.801
Ni 0.278 0.468 0.699
B 0.154 0.504 0.023
B 0.496 0.846 0.477
B 0.846 0.496 0.977
B 0.504 0.154 0.523 |
Below is a description of a material. | The chemical formula is: FeO2.
The XRD pattern shows main peaks at: 19.4°(1.0), 37.6°(0.37), 39.3°(0.11), 45.7°(0.52), 66.6°(0.26), 84.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-53015 | 5.61 5.61 5.62
120 120 89
Fe 0.500 0.500 0.000
Fe 0.000 -0.000 0.500
Fe 0.000 0.500 0.000
Fe -0.000 0.500 0.500
O 0.763 0.737 0.026
O 0.211 0.737 0.474
O 0.237 0.263 0.974
O 0.237 0.711 0.974
O 0.789 0.263 0.526
O 0.237 0.263 0.526
O 0.763 0.289 0.026
O 0.763 0.737 0.474 |
Below is a description of a material. | The chemical formula is: Ba2SrTi3O9.
The XRD pattern shows main peaks at: 22.3°(0.13), 31.5°(1.0), 38.9°(0.32), 44.7°(0.18), 45.6°(0.32), 55.9°(0.18), 56.4°(0.34), 65.7°(0.2), 74.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133498 | 8.90 8.90 4.05
90 90 143
Ba 0.667 0.333 0.007
Ba 0.333 0.667 0.007
Sr 0.000 0.000 0.995
Ti 0.165 0.835 0.492
Ti 0.835 0.165 0.492
Ti 0.500 0.500 0.491
O 0.163 0.837 0.031
O 0.837 0.163 0.031
O 0.500 0.500 0.032
O 0.835 0.672 0.526
O 0.500 0.000 0.520
O 0.165 0.328 0.526
O 0.328 0.165 0.526
O 0.000 0.500 0.520
O 0.672 0... |
Below is a description of a material. | The chemical formula is: TeWSe.
The XRD pattern shows main peaks at: 2.4°(1.0), 4.7°(0.1), 11.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28820 | 3.44 3.44 37.55
90 89 120
Te 0.333 0.667 0.329
Te 0.667 0.333 0.423
Te 0.667 0.333 0.522
Te 0.333 0.667 0.229
W 0.333 0.667 0.095
W 0.333 0.667 0.473
W 0.667 0.333 0.279
W 0.667 0.333 0.656
Se 0.333 0.667 0.700
Se 0.667 0.333 0.052
Se 0.667 0.333 0.139
Se 0.333 0.667 0.612 |
Below is a description of a material. | The chemical formula is: PrGaAu2.
The XRD pattern shows main peaks at: 25.2°(0.11), 35.9°(1.0), 51.7°(0.18), 64.6°(0.36), 76.2°(0.11), 87.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38491 | 5.00 5.00 5.00
60 60 60
Pr 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Au 0.500 0.500 0.500
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: InNi3N.
The XRD pattern shows main peaks at: 32.8°(0.12), 40.4°(1.0), 47.0°(0.56), 68.7°(0.3), 82.8°(0.34), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191415 | 3.87 3.87 3.87
90 90 90
Ni 0.000 0.500 0.000
Ni 0.000 0.000 0.500
Ni 0.500 0.000 0.000
N 0.000 0.000 0.000
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RuClO2F6.
The XRD pattern shows main peaks at: 15.6°(0.53), 17.0°(0.35), 18.7°(0.21), 20.1°(0.09), 23.2°(1.0), 24.4°(0.95), 25.3°(0.55), 29.9°(0.19), 31.5°(0.1), 34.4°(0.09), 36.9°(0.15), 39.6°(0.22), 40.8°(0.48), 42.5°(0.14), 44.7°(0.17), 51.2°(0.08), 52.3°(0.08), 53.1°(0.2), 55.0°(0.13), 62.7... | JVASP-25817 | 7.08 5.68 9.52
90 132 90
Ru 0.500 0.012 0.250
Ru 0.500 -0.012 0.750
Cl 0.000 0.363 0.250
Cl -0.000 0.637 0.750
O 0.871 0.505 0.578
O 0.871 0.495 0.078
O 0.129 0.505 0.922
O 0.129 0.495 0.422
F 0.805 0.012 0.509
F 0.626 0.257 0.195
F 0.361 0.784 0.299
F 0.195 0.988 0.491
F 0.639 0.784 0.201
F 0.195 0.012 -0.009
F 0.361 ... |
Below is a description of a material. | The chemical formula is: MgAs4.
The XRD pattern shows main peaks at: 17.2°(0.27), 22.2°(0.09), 23.1°(0.11), 25.6°(0.22), 27.6°(0.38), 28.6°(1.0), 32.2°(0.57), 32.8°(0.09), 37.3°(0.36), 38.6°(0.13), 40.0°(0.19), 43.6°(0.36), 46.8°(0.09), 47.5°(0.32), 51.5°(0.09), 53.4°(0.18), 54.4°(0.24), 56.0°(0.07), 66.0°(0.07), 80.5°... | JVASP-22709 | 5.46 5.46 16.01
90 90 90
Mg 0.807 0.807 0.500
Mg 0.693 0.307 0.750
Mg 0.307 0.693 0.250
Mg 0.193 0.193 0.000
As 0.474 0.395 0.125
As 0.605 0.526 0.375
As 0.938 0.324 0.296
As 0.062 0.676 0.796
As 0.324 0.938 0.704
As 0.824 0.562 0.046
As 0.176 0.438 0.546
As 0.438 0.176 0.454
As 0.526 0.605 0.625
As 0.676 0.062 0.204
A... |
Below is a description of a material. | The chemical formula is: Sb2O3.
The XRD pattern shows main peaks at: 19.3°(0.16), 25.3°(0.24), 28.2°(1.0), 28.6°(0.31), 32.8°(0.09), 33.6°(0.13), 36.3°(0.12), 39.5°(0.05), 44.0°(0.1), 46.9°(0.16), 49.5°(0.08), 50.3°(0.08), 54.2°(0.13), 54.7°(0.06), 58.4°(0.13), 60.5°(0.1), 66.3°(0.05).
Generate atomic structure descrip... | JVASP-18991 | 4.95 5.46 12.49
90 90 90
Sb 0.962 0.177 0.873
Sb 0.462 0.323 0.127
Sb 0.538 0.177 0.627
Sb 0.038 0.323 0.373
Sb 0.038 0.823 0.127
Sb 0.538 0.677 0.873
Sb 0.462 0.823 0.373
Sb 0.962 0.677 0.627
O 0.645 0.349 0.942
O 0.145 0.151 0.058
O 0.145 0.651 0.442
O 0.645 0.849 0.558
O 0.355 0.651 0.058
O 0.250 0.490 0.250
O 0.750... |
Below is a description of a material. | The chemical formula is: Zn2Au.
The XRD pattern shows main peaks at: 23.5°(0.5), 24.9°(0.58), 26.5°(0.6), 28.1°(0.88), 40.5°(1.0), 41.0°(0.67), 44.8°(0.41), 45.1°(0.33), 47.3°(0.28), 48.3°(0.32), 50.4°(0.14), 52.3°(0.13), 52.8°(0.12), 56.2°(0.16), 61.5°(0.14), 68.2°(0.12), 68.9°(0.12), 73.9°(0.16), 75.3°(0.15), 87.8°(0... | JVASP-179729 | 4.47 4.49 3.79
65 95 59
Zn 0.272 0.434 0.625
Zn 0.729 0.574 -0.006
Au 0.000 0.004 0.809 |
Below is a description of a material. | The chemical formula is: LaAsS.
The XRD pattern shows main peaks at: 20.0°(0.05), 24.0°(0.45), 24.5°(0.44), 31.4°(0.19), 33.0°(0.69), 37.5°(1.0), 44.5°(0.2), 45.4°(0.21), 51.4°(0.13), 52.1°(0.11), 65.5°(0.12), 76.0°(0.06), 77.2°(0.08), 78.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-141183 | 3.99 4.08 17.74
90 90 90
La 0.250 0.767 0.147
La 0.250 0.733 0.647
La 0.750 0.233 0.853
La 0.750 0.267 0.353
As 0.750 0.796 0.498
As 0.750 0.704 0.998
As 0.250 0.204 0.502
As 0.250 0.296 0.002
S 0.250 0.765 0.314
S 0.250 0.735 0.814
S 0.750 0.235 0.686
S 0.750 0.265 0.186 |
Below is a description of a material. | The chemical formula is: NiC.
The XRD pattern shows main peaks at: 38.2°(1.0), 44.4°(0.88), 64.6°(0.51), 77.6°(0.35), 81.8°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36359 | 2.88 2.88 2.88
60 60 60
Ni 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Y2BeW.
The XRD pattern shows main peaks at: 11.3°(0.92), 22.7°(0.1), 26.9°(0.44), 29.3°(1.0), 34.4°(0.33), 35.5°(0.98), 38.4°(0.73), 40.2°(0.18), 44.2°(0.57), 52.5°(0.43), 55.5°(0.27), 61.8°(0.11), 62.7°(0.08), 64.0°(0.21), 66.0°(0.09), 66.9°(0.2), 67.6°(0.28), 72.6°(0.1), 73.5°(0.25), 82.4°(0.... | JVASP-71578 | 3.31 3.31 7.83
90 90 90
Y 0.000 0.000 0.929
Y 0.500 0.500 0.325
Be 0.000 0.000 0.572
W 0.500 0.500 0.674 |
Below is a description of a material. | The chemical formula is: Sn2S2Cl.
The XRD pattern shows main peaks at: 15.6°(0.11), 20.5°(0.63), 26.8°(0.57), 30.3°(1.0), 38.3°(0.6), 41.9°(0.55), 43.8°(0.22), 44.4°(0.11), 49.6°(0.56), 55.3°(0.19), 56.0°(0.13), 60.0°(0.1), 60.5°(0.11), 62.5°(0.11), 64.4°(0.12), 71.7°(0.24), 73.9°(0.13), 77.4°(0.15), 78.9°(0.11), 82.6°... | JVASP-138677 | 6.57 6.57 6.57
138 138 60
Sn 0.863 0.863 0.000
Sn 0.137 0.137 0.000
S 0.250 0.750 0.500
S 0.750 0.250 0.500
Cl 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Sr4ZrTi3O12.
The XRD pattern shows main peaks at: 31.7°(1.0), 39.1°(0.15), 45.6°(0.29), 56.5°(0.17), 66.2°(0.17), 75.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-141409 | 4.01 5.63 11.26
90 90 90
Sr 0.500 0.500 0.500
Sr 0.500 0.000 0.740
Sr 0.500 0.500 0.000
Sr 0.500 0.000 0.260
Zr 0.000 0.000 0.000
Ti 0.000 0.500 0.255
Ti 0.000 0.000 0.500
Ti 0.000 0.500 0.745
O 0.500 0.000 0.500
O 0.500 0.500 0.258
O 0.000 0.753 0.377
O 0.000 0.260 0.131
O 0.000 0.740 0.869
O 0.000 0.753 0.623
O 0.000... |
Below is a description of a material. | The chemical formula is: URh3.
The XRD pattern shows main peaks at: 22.1°(0.14), 31.5°(0.13), 38.8°(1.0), 45.1°(0.48), 50.8°(0.07), 56.0°(0.05), 65.7°(0.32), 79.0°(0.38), 83.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126610 | 4.02 4.02 4.02
90 90 90
U 0.000 0.500 0.000
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnCoSi2.
The XRD pattern shows main peaks at: 28.2°(0.35), 34.7°(0.21), 40.1°(0.06), 45.1°(1.0), 45.5°(0.74), 49.5°(0.38), 49.9°(0.5), 69.1°(0.09), 70.1°(0.07), 79.4°(0.08), 80.3°(0.18), 86.4°(0.1), 87.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-109382 | 4.44 4.50 4.51
89 90 90
Mn 0.636 0.891 0.871
Mn 0.136 0.109 0.129
Co 0.365 0.389 0.635
Co 0.865 0.611 0.365
Si 0.658 0.087 0.350
Si 0.158 0.913 0.650
Si 0.340 0.587 0.157
Si 0.840 0.413 0.843 |
Below is a description of a material. | The chemical formula is: Rb3HoCl6.
The XRD pattern shows main peaks at: 13.6°(0.18), 15.7°(0.21), 22.3°(1.0), 31.8°(0.7), 39.2°(0.48), 45.6°(0.46), 56.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110072 | 7.96 7.96 7.96
60 60 60
Rb 0.250 0.250 0.250
Rb 0.750 0.750 0.750
Rb 0.500 0.500 0.500
Ho 0.000 0.000 0.000
Cl 0.769 0.231 0.231
Cl 0.231 0.769 0.769
Cl 0.231 0.769 0.231
Cl 0.769 0.231 0.769
Cl 0.231 0.231 0.769
Cl 0.769 0.769 0.231 |
Below is a description of a material. | The chemical formula is: MoH2O4.
The XRD pattern shows main peaks at: 12.4°(0.18), 17.1°(1.0), 18.2°(0.41), 23.9°(0.17), 24.5°(0.17), 25.0°(0.7), 26.3°(0.56), 26.7°(0.41), 28.4°(0.31), 29.1°(0.36), 33.4°(0.36), 34.6°(0.2), 37.0°(0.1), 37.9°(0.21), 40.2°(0.08), 44.0°(0.09), 47.2°(0.3), 48.4°(0.09), 50.2°(0.2), 50.8°(0.2... | JVASP-54713 | 3.86 5.73 7.42
104 91 109
Mo 0.267 0.094 0.228
Mo 0.733 0.906 0.772
H 0.318 0.626 0.177
H 0.682 0.374 0.823
H 0.766 0.522 0.173
H 0.234 0.478 0.827
O 0.337 0.197 0.464
O 0.663 0.803 0.536
O 0.204 0.936 0.839
O 0.796 0.064 0.161
O 0.153 0.731 0.182
O 0.847 0.269 0.818
O 0.496 0.406 0.165
O 0.504 0.594 0.835 |
Below is a description of a material. | The chemical formula is: Li2CoNiO4.
The XRD pattern shows main peaks at: 19.1°(1.0), 36.2°(0.15), 37.0°(0.27), 38.6°(0.11), 44.0°(0.24), 45.2°(0.47), 49.1°(0.09), 60.0°(0.09), 64.6°(0.14), 65.3°(0.12), 65.8°(0.12), 68.4°(0.05), 82.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates... | JVASP-141578 | 5.03 5.72 5.72
120 107 72
Li 0.500 0.250 0.750
Li 0.500 0.750 0.250
Li 1.000 0.500 0.000
Li 0.000 0.000 0.500
Co 0.500 0.750 0.750
Co 0.500 0.250 0.250
Ni 0.000 -0.000 -0.000
Ni -0.000 0.500 0.500
O 0.729 0.885 0.115
O 0.729 0.385 0.615
O 0.271 0.115 0.885
O 0.271 0.615 0.385
O 0.249 0.643 0.857
O 0.249 0.143 0.357
O 0... |
Below is a description of a material. | The chemical formula is: LiAl2Ag.
The XRD pattern shows main peaks at: 22.8°(0.41), 24.6°(0.92), 31.0°(0.39), 38.8°(1.0), 41.2°(0.24), 44.4°(0.36), 46.6°(0.15), 50.5°(0.19), 51.4°(0.23), 57.0°(0.12), 64.6°(0.11), 66.3°(0.19), 73.4°(0.06), 78.0°(0.26), 81.2°(0.11).
Generate atomic structure description with lattice leng... | JVASP-191663 | 4.85 4.85 4.85
130 130 73
Al 0.000 0.000 0.000
Al 0.250 0.750 0.500
Ag 0.750 0.250 0.500
Li 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ba4MgIn.
The XRD pattern shows main peaks at: 15.0°(0.34), 24.6°(0.11), 28.9°(1.0), 30.2°(0.62), 35.0°(0.16), 38.3°(0.1), 46.0°(0.37), 50.4°(0.31), 52.8°(0.08), 59.1°(0.13), 59.8°(0.24), 70.6°(0.22), 74.0°(0.05), 81.3°(0.07), 81.9°(0.05).
Generate atomic structure description with lattice lengt... | JVASP-64515 | 7.25 7.25 7.25
60 60 60
Ba 0.127 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.127 0.624
Ba 0.624 0.624 0.127
Mg 0.000 0.000 0.000
In 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: I2Br.
The XRD pattern shows main peaks at: 14.5°(0.18), 15.5°(0.6), 21.3°(0.15), 22.9°(1.0), 27.8°(0.31), 29.2°(0.54), 31.4°(0.52), 33.2°(0.19), 37.4°(0.56), 39.2°(0.48), 40.7°(0.22), 43.4°(0.35), 46.7°(0.13), 49.6°(0.55), 56.1°(0.16), 57.4°(0.15), 65.6°(0.29), 74.5°(0.14), 77.9°(0.13), 88.2°(0... | JVASP-117787 | 5.70 3.89 6.12
90 90 90
I -0.033 0.000 -0.033
I -0.033 0.000 0.467
Br 0.467 0.000 -0.033 |
Below is a description of a material. | The chemical formula is: YScRu.
The XRD pattern shows main peaks at: 23.6°(0.58), 39.0°(1.0), 46.0°(0.27), 56.3°(0.17), 61.9°(0.11), 70.6°(0.33), 75.6°(0.09), 83.7°(0.11), 88.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-160821 | 4.62 4.62 4.62
60 60 60
Y 0.750 0.750 0.750
Sc 0.250 0.250 0.250
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: In2GaAs3.
The XRD pattern shows main peaks at: 25.6°(1.0), 42.3°(0.61), 50.2°(0.33), 61.6°(0.09), 67.8°(0.07), 77.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108773 | 9.58 9.58 9.58
154 154 36
In 0.337 0.337 0.000
In 0.663 0.663 -0.000
Ga 0.000 0.000 0.000
As 0.250 0.750 0.500
As 0.575 0.075 0.500
As 0.925 0.425 0.500 |
Below is a description of a material. | The chemical formula is: Rb3YBr6.
The XRD pattern shows main peaks at: 14.9°(0.24), 21.2°(0.26), 26.0°(0.67), 30.1°(1.0), 43.1°(0.7), 53.5°(0.24), 62.6°(0.11), 71.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102419 | 8.39 8.39 8.39
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Rb 0.500 0.500 0.500
Y 0.000 0.000 0.000
Br 0.767 0.233 0.233
Br 0.233 0.233 0.767
Br 0.233 0.767 0.767
Br 0.233 0.767 0.233
Br 0.767 0.233 0.767
Br 0.767 0.767 0.233 |
Below is a description of a material. | The chemical formula is: MgSiN2.
The XRD pattern shows main peaks at: 18.2°(0.09), 36.8°(0.1), 38.5°(0.22), 44.2°(1.0), 63.2°(0.28), 65.5°(0.3), 75.5°(0.06), 77.6°(0.09), 78.4°(0.05), 82.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36650 | 2.85 2.85 5.15
73 73 60
Mg 0.000 0.000 0.000
Si 0.500 0.500 0.500
N 0.763 0.763 0.711
N 0.237 0.237 0.289 |
Below is a description of a material. | The chemical formula is: Ta2SnO7.
The XRD pattern shows main peaks at: 10.7°(0.05), 25.1°(0.21), 28.7°(1.0), 30.9°(0.82), 32.5°(0.37), 34.8°(0.22), 36.3°(0.2), 44.3°(0.07), 45.3°(0.1), 49.5°(0.28), 51.2°(0.23), 54.4°(0.15), 57.4°(0.07), 58.4°(0.16), 59.4°(0.08), 60.7°(0.16), 61.9°(0.13), 64.4°(0.08).
Generate atomic st... | JVASP-14264 | 4.96 5.19 8.67
83 106 90
Ta 0.610 0.804 0.675
Ta 0.065 0.304 0.675
Ta 0.390 0.196 0.325
Ta 0.935 0.696 0.325
Sn 0.770 0.250 0.000
Sn 0.230 0.750 -0.000
O 0.691 0.997 0.283
O 0.408 0.503 0.717
O 0.905 0.028 0.838
O 0.067 0.472 0.162
O 0.683 0.165 0.552
O 0.623 0.750 -0.000
O 0.377 0.250 0.000
O 0.592 0.497 0.283
O 0.309... |
Below is a description of a material. | The chemical formula is: NaBiO.
The XRD pattern shows main peaks at: 12.2°(1.0), 24.6°(0.3), 25.6°(0.75), 28.5°(0.63), 35.8°(0.45), 36.6°(0.29), 37.3°(0.1), 38.7°(0.29), 44.6°(0.25), 45.8°(0.23), 52.7°(0.1), 53.2°(0.15), 54.3°(0.11), 57.4°(0.13), 59.0°(0.11), 59.5°(0.14), 61.0°(0.15), 65.3°(0.16), 72.3°(0.12), 81.7°(0.... | JVASP-117742 | 3.48 3.48 7.23
90 90 90
Na 0.000 0.000 0.717
Bi 0.000 0.000 0.275
O 0.000 0.000 -0.001 |
Below is a description of a material. | The chemical formula is: Li2FeCoO4.
The XRD pattern shows main peaks at: 19.0°(1.0), 19.2°(0.98), 36.9°(0.41), 37.4°(0.25), 38.5°(0.19), 39.1°(0.18), 44.7°(0.49), 45.3°(0.96), 65.5°(0.48), 66.8°(0.12), 82.5°(0.11), 84.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-120713 | 5.70 5.70 5.72
59 59 90
Li 0.500 0.500 0.500
Li 0.500 0.000 0.000
Li -0.000 0.500 0.500
Li 0.500 0.500 0.000
Fe 0.500 0.000 0.500
Fe -0.000 0.500 0.000
Co 0.000 0.000 0.500
Co 0.000 0.000 0.000
O 0.778 0.756 0.983
O 0.761 0.239 0.483
O 0.239 0.761 -0.017
O 0.756 0.778 0.483
O 0.244 0.222 0.517
O 0.761 0.239 0.017
O 0.2... |
Below is a description of a material. | The chemical formula is: BeTcHg2.
The XRD pattern shows main peaks at: 20.1°(0.41), 24.9°(0.11), 32.4°(0.26), 38.4°(1.0), 40.8°(0.19), 46.5°(0.28), 51.1°(0.15), 53.1°(0.13), 63.6°(0.22), 67.8°(0.09), 71.5°(0.05), 72.8°(0.14), 80.7°(0.22), 82.3°(0.12).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-72263 | 5.21 5.21 5.21
135 135 64
Be 0.750 0.250 0.500
Tc 0.250 0.750 0.500
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TlS.
The XRD pattern shows main peaks at: 23.8°(0.27), 26.1°(0.81), 35.6°(1.0), 46.1°(0.26), 48.7°(0.08), 52.5°(0.21), 53.7°(0.12), 56.1°(0.21), 59.5°(0.21), 69.3°(0.17), 73.4°(0.09), 75.4°(0.08), 78.4°(0.21), 82.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-127286 | 3.94 3.94 3.74
90 90 119
Tl 0.667 0.333 0.750
S 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: BaGaSb2.
The XRD pattern shows main peaks at: 24.4°(0.22), 29.3°(0.93), 33.6°(1.0), 39.8°(0.05), 41.9°(0.35), 49.1°(0.07), 50.1°(0.11), 54.7°(0.55), 59.1°(0.07), 60.7°(0.12), 62.5°(0.1), 68.8°(0.16), 70.5°(0.07), 71.2°(0.12), 72.9°(0.06), 82.5°(0.06), 86.2°(0.14), 87.8°(0.08).
Generate atomic s... | JVASP-69146 | 4.31 4.31 6.80
90 90 90
Ba 0.500 0.500 0.000
Ga 0.500 0.500 0.500
Sb 0.000 0.000 0.707
Sb 0.000 0.000 0.293 |
Below is a description of a material. | The chemical formula is: Sc2AgSn.
The XRD pattern shows main peaks at: 25.3°(0.13), 25.8°(0.23), 36.4°(1.0), 45.1°(0.09), 52.0°(0.09), 52.9°(0.17), 65.3°(0.14), 65.9°(0.26), 77.3°(0.06), 89.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-81616 | 12.03 8.49 8.49
33 19 19
Sc 0.750 -0.000 -0.000
Sc 0.250 -0.000 -0.000
Ag -0.000 0.000 0.000
Sn 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: BeVNi.
The XRD pattern shows main peaks at: 26.6°(0.69), 45.8°(1.0), 46.9°(0.76), 54.7°(0.09), 67.7°(0.31), 86.4°(0.31), 87.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182642 | 3.87 3.87 2.45
90 90 120
Be 0.333 0.667 0.500
V -0.000 -0.000 -0.000
Ni 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: HgB11.
The XRD pattern shows main peaks at: 13.9°(0.43), 21.1°(0.37), 21.6°(1.0), 22.6°(0.69), 23.5°(0.4), 27.1°(0.23), 28.0°(0.24), 28.6°(0.44), 30.9°(0.35), 32.5°(0.18), 36.7°(0.31), 37.9°(0.13), 38.6°(0.18), 39.4°(0.23), 39.8°(0.18), 40.1°(0.19), 42.7°(0.3), 44.0°(0.15), 45.3°(0.13), 48.0°(0... | JVASP-131475 | 4.91 7.16 4.91
66 59 66
Hg 0.085 0.511 0.085
B 0.018 0.015 0.667
B 0.667 0.015 0.018
B 0.337 0.017 0.983
B 0.019 0.253 0.019
B 0.983 0.017 0.337
B 0.070 0.826 0.070
B 0.259 0.176 0.625
B 0.625 0.176 0.259
B 0.383 0.886 0.717
B 0.837 0.223 0.837
B 0.717 0.886 0.383 |
Below is a description of a material. | The chemical formula is: MgBeGa4.
The XRD pattern shows main peaks at: 20.2°(0.94), 39.3°(1.0), 41.1°(0.85), 47.9°(0.3), 52.5°(0.21), 63.6°(0.31), 70.0°(0.32), 73.7°(0.16), 83.3°(0.09), 84.5°(0.29), 89.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64894 | 5.38 5.38 5.38
60 60 60
Mg 0.750 0.750 0.750
Be 0.000 0.000 0.000
Ga 0.375 0.375 0.375
Ga 0.375 0.876 0.375
Ga 0.375 0.375 0.876
Ga 0.876 0.375 0.375 |
Below is a description of a material. | The chemical formula is: ZrZnCoRh.
The XRD pattern shows main peaks at: 25.0°(0.05), 41.3°(1.0), 59.9°(0.16), 75.4°(0.29), 89.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192795 | 4.37 4.37 4.37
60 60 60
Co 0.750 0.750 0.750
Zn 0.000 -0.000 0.000
Rh 0.250 0.250 0.250
Zr 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: VFeAs.
The XRD pattern shows main peaks at: 24.3°(0.08), 29.5°(0.18), 38.6°(0.68), 42.4°(1.0), 45.8°(0.33), 49.8°(0.31), 52.5°(0.54), 70.0°(0.16), 75.2°(0.19), 84.8°(0.29), 88.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-63111 | 6.05 6.05 3.66
90 90 119
V 0.583 1.000 0.500
V 1.000 0.583 0.500
V 0.417 0.417 0.500
Fe 0.248 0.000 0.000
Fe 0.000 0.248 0.000
Fe 0.752 0.752 0.000
As 0.333 0.667 0.000
As 0.667 0.333 0.000
As 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: AgBiTe2.
The XRD pattern shows main peaks at: 14.3°(0.06), 20.1°(0.06), 28.6°(1.0), 41.0°(0.84), 50.7°(0.41), 59.1°(0.13), 59.6°(0.06), 67.0°(0.3), 67.4°(0.17), 74.4°(0.25), 88.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111112 | 4.42 4.42 6.20
90 90 90
Ag 0.000 0.000 0.000
Bi 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: CaFeCl2.
The XRD pattern shows main peaks at: 12.2°(0.2), 24.5°(0.26), 36.2°(1.0), 37.5°(0.62), 39.5°(0.05), 45.2°(0.17), 54.0°(0.21), 57.4°(0.17), 60.1°(0.07), 64.2°(0.05), 66.7°(0.25), 79.9°(0.06), 82.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-182708 | 3.40 3.40 7.28
90 90 90
Ca 0.500 0.500 0.617
Fe 0.000 0.000 0.925
Cl -0.000 -0.000 0.418
Cl 0.500 0.500 0.050 |
Below is a description of a material. | The chemical formula is: TiSCl.
The XRD pattern shows main peaks at: 11.0°(0.54), 29.4°(1.0), 31.4°(0.16), 33.4°(0.16), 42.0°(0.37), 43.5°(0.06), 45.0°(0.39), 54.6°(0.35), 60.9°(0.11), 63.2°(0.14), 69.0°(0.14), 71.2°(0.06), 78.9°(0.15), 86.3°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-136413 | 3.04 3.04 8.06
90 90 90
Ti 0.000 0.000 0.009
S 0.000 0.000 0.726
Cl 0.000 0.000 0.281 |
Below is a description of a material. | The chemical formula is: NaSrAs.
The XRD pattern shows main peaks at: 9.4°(0.64), 18.9°(0.07), 26.3°(1.0), 28.0°(0.22), 28.6°(0.37), 32.6°(0.07), 37.6°(0.39), 39.3°(0.56), 47.2°(0.14), 47.9°(0.35), 54.2°(0.14), 54.8°(0.08), 61.2°(0.18), 62.4°(0.16), 68.9°(0.22), 74.7°(0.06), 87.2°(0.06).
Generate atomic structure descr... | JVASP-115435 | 3.38 3.38 9.37
90 90 90
Na 0.000 0.000 0.563
Sr 0.000 0.000 -0.046
As 0.000 0.000 0.266 |
Below is a description of a material. | The chemical formula is: MoF5.
The XRD pattern shows main peaks at: 16.4°(1.0), 21.6°(0.48), 26.3°(0.44), 27.2°(0.27), 34.2°(0.19), 35.4°(0.1), 39.9°(0.06), 41.8°(0.1), 42.3°(0.06), 47.2°(0.11), 49.3°(0.16), 51.1°(0.12), 51.9°(0.16), 54.4°(0.13), 56.1°(0.13), 57.7°(0.15), 58.9°(0.06), 65.9°(0.07), 70.3°(0.07), 72.1°(0.... | JVASP-9949 | 3.57 5.69 8.24
90 90 108
Mo 0.500 0.000 0.500
Mo 0.500 0.000 0.000
F 0.466 0.933 0.250
F 0.534 0.067 0.750
F 0.081 0.163 0.579
F 0.919 0.837 0.421
F 0.341 0.682 0.910
F 0.659 0.318 0.090
F 0.659 0.318 0.410
F 0.341 0.682 0.590
F 0.081 0.163 0.921
F 0.919 0.837 0.079 |
Below is a description of a material. | The chemical formula is: Sc3Sb2.
The XRD pattern shows main peaks at: 19.0°(0.61), 22.7°(0.68), 24.7°(0.11), 28.7°(0.21), 32.3°(0.98), 36.9°(1.0), 37.8°(0.39), 43.7°(0.26), 46.4°(0.35), 50.5°(0.16), 52.2°(0.14), 54.4°(0.22), 55.4°(0.13), 60.7°(0.43), 67.7°(0.11), 74.2°(0.17), 77.0°(0.15), 79.6°(0.09), 80.2°(0.09), 84.1... | JVASP-185278 | 3.92 3.92 9.34
90 90 90
Sc 0.500 0.500 0.284
Sc -0.000 0.000 0.500
Sc 0.500 0.500 0.716
Sb -0.000 -0.000 0.812
Sb 0.000 0.000 0.188 |
Below is a description of a material. | The chemical formula is: CdP2.
The XRD pattern shows main peaks at: 18.8°(0.54), 22.5°(0.15), 28.3°(0.66), 29.1°(0.7), 30.7°(0.73), 34.4°(1.0), 35.4°(0.18), 38.1°(0.14), 43.0°(0.23), 43.9°(0.29), 46.0°(0.24), 48.6°(0.08), 49.4°(0.58), 55.2°(0.15), 57.4°(0.17), 58.6°(0.11), 63.2°(0.08), 64.5°(0.13), 65.8°(0.08), 67.2°(0... | JVASP-115853 | 4.30 5.79 3.33
125 112 73
Cd 0.066 0.211 0.096
P 0.604 0.862 0.019
P 0.529 0.560 0.178 |
Below is a description of a material. | The chemical formula is: TmI2.
The XRD pattern shows main peaks at: 12.1°(0.28), 28.2°(1.0), 35.5°(0.59), 37.0°(0.06), 44.7°(0.29), 45.4°(0.21), 46.5°(0.06), 50.1°(0.07), 53.7°(0.15), 58.3°(0.14), 59.3°(0.08), 65.6°(0.07), 69.3°(0.15), 69.9°(0.08), 72.3°(0.14), 76.3°(0.13), 82.8°(0.07).
Generate atomic structure descri... | JVASP-5710 | 4.06 4.06 7.29
90 90 119
Tm 0.000 0.000 0.000
I 0.667 0.333 0.265
I 0.333 0.667 0.735 |
Below is a description of a material. | The chemical formula is: ErPdPb.
The XRD pattern shows main peaks at: 32.8°(1.0), 35.1°(0.44), 35.4°(0.54), 40.0°(0.39), 42.5°(0.19), 47.6°(0.19), 52.6°(0.07), 60.5°(0.18), 63.8°(0.2), 64.8°(0.3), 74.3°(0.07), 79.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168022 | 3.82 7.81 7.81
120 90 90
Er 0.500 0.602 0.000
Er 0.500 0.398 0.398
Er 0.500 1.000 0.602
Pd -0.000 0.333 0.667
Pd -0.000 0.667 0.333
Pd 0.500 -0.000 0.000
Pb -0.000 0.269 0.000
Pb 0.000 0.731 0.731
Pb -0.000 -0.000 0.269 |
Below is a description of a material. | The chemical formula is: CeSbPd.
The XRD pattern shows main peaks at: 22.6°(0.05), 31.9°(1.0), 39.0°(0.6), 46.2°(0.12), 51.3°(0.25), 62.0°(0.31), 66.3°(0.23), 70.7°(0.1), 83.8°(0.06), 88.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35838 | 4.62 4.62 7.87
90 90 119
Ce 0.000 0.000 0.500
Ce 0.000 0.000 0.000
Sb 0.333 0.667 0.750
Sb 0.667 0.333 0.250
Pd 0.333 0.667 0.250
Pd 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Nd5Pb3.
The XRD pattern shows main peaks at: 10.9°(0.09), 23.0°(0.12), 26.0°(0.25), 28.3°(0.05), 29.1°(0.23), 32.0°(1.0), 32.4°(0.74), 33.1°(0.42), 34.3°(0.12), 40.7°(0.12), 42.3°(0.2), 47.0°(0.15), 49.8°(0.3), 53.5°(0.1), 56.7°(0.05), 63.4°(0.21), 64.4°(0.12), 76.1°(0.08).
Generate atomic stru... | JVASP-168320 | 6.85 9.37 9.37
119 89 90
Nd 0.500 0.333 0.667
Nd 0.500 0.667 0.333
Nd -0.000 0.667 0.333
Nd -0.000 0.333 0.667
Nd 0.750 0.240 0.000
Nd 0.750 0.760 0.760
Nd 0.750 0.000 0.240
Nd 0.250 0.760 -0.000
Nd 0.250 0.240 0.240
Nd 0.250 0.000 0.760
Pb 0.750 0.607 0.000
Pb 0.750 0.393 0.393
Pb 0.750 0.000 0.607
Pb 0.250 0.393 -0.0... |
Below is a description of a material. | The chemical formula is: U2PN2.
The XRD pattern shows main peaks at: 27.1°(0.38), 30.4°(1.0), 38.7°(0.28), 47.8°(0.29), 50.1°(0.24), 55.9°(0.23), 57.7°(0.19), 63.3°(0.11), 65.0°(0.08), 71.7°(0.09), 76.7°(0.07), 78.1°(0.17), 83.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-15563 | 3.80 3.80 6.56
90 90 120
U 0.667 0.333 0.719
U 0.333 0.667 0.281
P 0.000 0.000 0.000
N 0.333 0.667 0.629
N 0.667 0.333 0.371 |
Below is a description of a material. | The chemical formula is: Tl3VF6.
The XRD pattern shows main peaks at: 16.9°(0.07), 27.7°(1.0), 34.1°(0.07), 39.6°(0.29), 49.0°(0.41), 57.2°(0.18), 64.7°(0.18), 71.8°(0.06), 78.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99862 | 6.44 6.44 6.44
60 60 60
Tl 0.250 0.250 0.250
Tl 0.750 0.750 0.750
Tl 0.500 0.500 0.500
V 0.000 0.000 0.000
F 0.786 0.214 0.214
F 0.214 0.786 0.786
F 0.214 0.786 0.214
F 0.786 0.214 0.786
F 0.214 0.214 0.786
F 0.786 0.786 0.214 |
Below is a description of a material. | The chemical formula is: LiMg6Mo.
The XRD pattern shows main peaks at: 14.6°(0.77), 20.7°(0.1), 25.3°(0.27), 29.3°(0.07), 33.0°(0.15), 36.1°(1.0), 39.2°(0.24), 41.7°(0.18), 42.1°(0.34), 44.4°(0.09), 49.7°(0.08), 60.8°(0.2), 72.5°(0.12), 73.1°(0.11), 76.7°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-93188 | 6.07 8.58 4.33
90 90 135
Li 0.250 0.375 0.250
Mg 0.750 0.375 0.250
Mg 0.750 0.875 0.250
Mg 0.250 0.113 0.750
Mg 0.250 0.637 0.750
Mg 0.725 0.113 0.750
Mg 0.775 0.637 0.750
Mo 0.250 0.875 0.250 |
Below is a description of a material. | The chemical formula is: VRu2Rh.
The XRD pattern shows main peaks at: 23.4°(0.06), 33.3°(0.06), 41.2°(1.0), 48.0°(0.35), 70.0°(0.22), 84.3°(0.13), 84.7°(0.23), 89.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187281 | 3.81 3.79 3.79
90 90 90
Ru 0.000 0.000 0.500
Ru 0.000 0.500 -0.000
Rh 0.500 0.000 -0.000
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TaMnSi.
The XRD pattern shows main peaks at: 25.6°(0.23), 27.8°(0.48), 30.3°(0.13), 32.2°(0.27), 38.2°(1.0), 41.6°(0.7), 43.1°(0.42), 49.2°(0.13), 52.6°(0.18), 60.0°(0.24), 60.5°(0.11), 63.0°(0.05), 66.3°(0.4), 70.2°(0.18), 80.2°(0.16), 83.9°(0.18).
Generate atomic structure description with la... | JVASP-89931 | 3.48 6.42 6.42
120 90 90
Ta 0.500 0.589 0.000
Ta 0.500 0.411 0.411
Ta 0.500 1.000 0.589
Mn 0.000 0.247 -0.000
Mn 0.000 0.753 0.753
Mn 0.000 1.000 0.247
Si 0.000 0.333 0.667
Si 0.000 0.667 0.333
Si 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CrRh.
The XRD pattern shows main peaks at: 21.2°(0.17), 39.1°(0.32), 43.1°(0.22), 44.9°(1.0), 59.6°(0.18), 70.8°(0.15), 80.3°(0.16), 86.7°(0.17), 87.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100013 | 2.66 2.66 4.19
90 90 119
Cr 0.667 0.333 0.500
Rh 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Na3P.
The XRD pattern shows main peaks at: 12.9°(1.0), 21.7°(0.08), 25.3°(0.09), 34.0°(0.6), 38.0°(0.46), 40.3°(0.29), 45.3°(0.15), 51.9°(0.17), 60.6°(0.06), 66.1°(0.15), 67.3°(0.1), 68.6°(0.07), 73.8°(0.06), 80.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-135540 | 4.74 4.74 6.87
90 90 120
Na 0.333 0.667 0.783
Na 0.000 0.000 0.000
Na 0.333 0.667 0.217
P 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: SrEu3.
The XRD pattern shows main peaks at: 29.7°(1.0), 34.4°(0.39), 49.6°(0.3), 58.8°(0.31), 61.8°(0.12), 80.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103312 | 6.36 6.36 6.36
131 131 70
Sr 0.000 0.000 0.000
Eu 0.750 0.250 0.500
Eu 0.250 0.750 0.500
Eu 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Te3WO12.
The XRD pattern shows main peaks at: 24.5°(1.0), 34.0°(0.36), 35.8°(0.21), 43.9°(0.16), 50.2°(0.14), 55.4°(0.25), 57.9°(0.16), 59.7°(0.07), 63.2°(0.11), 64.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-44760 | 5.01 5.29 7.28
85 89 89
Te -0.000 0.007 0.503
Te 0.500 0.507 0.003
Te 0.500 0.507 0.503
W 0.000 0.007 0.003
O 0.680 0.188 0.575
O 0.875 0.005 0.253
O 0.688 0.821 0.943
O 0.820 0.687 0.575
O 0.187 0.695 0.066
O 0.641 0.506 0.254
O 0.359 0.508 0.753
O 0.813 0.319 0.941
O 0.180 0.326 0.431
O 0.312 0.193 0.063
O 0.125 0.00... |
Below is a description of a material. | The chemical formula is: P3Kr.
The XRD pattern shows main peaks at: 20.0°(0.39), 20.8°(0.27), 24.6°(0.66), 25.9°(0.87), 27.8°(0.76), 29.2°(0.26), 30.8°(1.0), 32.7°(0.53), 37.2°(0.22), 40.1°(0.18), 40.9°(0.4), 41.2°(0.22), 42.3°(0.12), 45.3°(0.23), 50.0°(0.13), 51.1°(0.39), 52.5°(0.2), 56.9°(0.18), 59.4°(0.13), 64.2°(0.... | JVASP-123585 | 3.25 7.47 4.86
103 109 90
P 0.724 0.303 0.447
P 0.062 0.300 0.123
P 0.938 0.526 0.875
Kr 0.277 -0.128 0.554 |
Below is a description of a material. | The chemical formula is: Ba4YPb.
The XRD pattern shows main peaks at: 15.0°(0.07), 24.6°(0.29), 28.9°(1.0), 30.2°(0.36), 43.3°(0.13), 46.1°(0.37), 50.4°(0.31), 56.9°(0.06), 59.2°(0.13), 59.9°(0.16), 68.6°(0.07), 70.7°(0.24), 74.1°(0.05), 81.4°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-64338 | 7.24 7.24 7.24
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Y 0.000 0.000 0.000
Pb 0.250 0.250 0.250 |
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