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: SmSb2Au.
The XRD pattern shows main peaks at: 8.7°(0.28), 26.7°(0.05), 33.6°(1.0), 35.3°(0.16), 39.1°(0.08), 40.6°(0.35), 49.3°(0.07), 54.9°(0.18), 58.8°(0.13), 69.4°(0.24), 70.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-61785 | 4.44 4.44 10.16
90 90 90
Sm 0.000 0.500 0.248
Sm 0.500 0.000 0.752
Sb 0.000 0.000 0.000
Sb 0.500 0.500 0.000
Sb 0.000 0.500 0.684
Sb 0.500 0.000 0.316
Au 0.000 0.000 0.500
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li2BeCl.
The XRD pattern shows main peaks at: 11.7°(1.0), 23.4°(0.36), 28.2°(0.2), 30.6°(0.51), 35.5°(0.07), 37.0°(0.14), 40.4°(0.23), 42.2°(0.15), 45.9°(0.26), 47.2°(0.17), 54.8°(0.07), 56.6°(0.06), 58.4°(0.07), 63.8°(0.06), 64.4°(0.05), 67.4°(0.08), 68.6°(0.05), 77.3°(0.1).
Generate atomic st... | JVASP-70889 | 3.16 3.16 7.59
90 90 90
Li 0.000 0.000 0.842
Li 0.500 0.500 0.260
Be 0.000 0.000 0.451
Cl 0.500 0.500 0.947 |
Below is a description of a material. | The chemical formula is: Y2Co3Ge.
The XRD pattern shows main peaks at: 34.0°(0.43), 36.3°(0.29), 40.3°(0.42), 41.3°(1.0), 42.5°(0.44), 43.2°(0.41), 46.2°(0.11), 60.9°(0.08), 62.4°(0.11), 65.9°(0.23), 67.3°(0.22), 69.4°(0.08), 71.7°(0.23), 77.1°(0.2), 87.5°(0.1), 89.6°(0.09).
Generate atomic structure description with l... | JVASP-162945 | 4.97 4.97 4.97
64 64 64
Co 0.500 -0.000 -0.000
Co -0.000 0.500 -0.000
Co -0.000 -0.000 0.500
Ge -0.000 -0.000 -0.000
Y 0.374 0.374 0.374
Y 0.626 0.626 0.626 |
Below is a description of a material. | The chemical formula is: BeV2Ge.
The XRD pattern shows main peaks at: 22.5°(0.2), 27.4°(0.27), 35.5°(0.13), 42.5°(1.0), 45.9°(0.19), 51.1°(0.29), 56.5°(0.07), 59.4°(0.06), 71.1°(0.19), 75.2°(0.09), 82.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67905 | 4.69 4.69 4.69
135 135 65
Be 0.500 0.500 0.000
V 0.000 0.000 0.000
V 0.250 0.750 0.500
Ge 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: K2LiAlH6.
The XRD pattern shows main peaks at: 18.7°(0.06), 24.7°(0.47), 29.6°(0.44), 32.2°(1.0), 38.0°(0.1), 41.0°(0.13), 44.2°(0.17), 46.2°(0.08), 50.7°(0.09), 55.7°(0.13), 57.3°(0.14), 67.3°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-55692 | 9.61 9.61 9.61
33 33 33
K 0.714 0.714 0.714
K 0.873 0.873 0.873
K 0.127 0.127 0.127
K 0.286 0.286 0.286
Li 0.593 0.593 0.593
Li 0.407 0.407 0.407
Al 0.500 0.500 0.500
Al 0.000 0.000 0.000
H 0.831 0.394 0.394
H 0.169 0.606 0.606
H 0.190 0.190 0.733
H 0.394 0.831 0.394
H 0.394 0.394 0.831
H 0.810 0.267 0.810
H 0.810 0.81... |
Below is a description of a material. | The chemical formula is: K2HgAsI6.
The XRD pattern shows main peaks at: 14.9°(0.85), 26.0°(0.52), 30.1°(1.0), 33.8°(0.51), 43.1°(0.72), 45.9°(0.07), 53.5°(0.26), 62.7°(0.11), 71.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100898 | 8.39 8.39 8.39
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Hg 0.500 0.500 0.500
As 0.000 0.000 0.000
I 0.757 0.243 0.243
I 0.243 0.243 0.757
I 0.243 0.757 0.757
I 0.243 0.757 0.243
I 0.757 0.243 0.757
I 0.757 0.757 0.243 |
Below is a description of a material. | The chemical formula is: Al2N.
The XRD pattern shows main peaks at: 18.3°(0.09), 34.1°(0.06), 35.8°(1.0), 37.1°(0.29), 42.0°(0.32), 46.1°(0.06), 60.0°(0.26), 61.7°(0.24), 71.8°(0.1), 72.6°(0.2), 74.2°(0.1), 75.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-162661 | 3.09 3.08 5.17
90 107 119
Al 0.287 0.076 0.270
Al 0.308 0.587 0.804
N 0.048 0.457 0.413 |
Below is a description of a material. | The chemical formula is: ScGaPt2.
The XRD pattern shows main peaks at: 27.8°(0.33), 39.8°(1.0), 49.3°(0.09), 57.5°(0.17), 65.1°(0.14), 72.2°(0.35), 85.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40627 | 4.53 4.53 4.53
60 60 60
Sc 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Pt 0.000 0.000 0.000
Pt 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZnNi4O10.
The XRD pattern shows main peaks at: 21.2°(1.0), 35.6°(0.13), 36.1°(0.25), 41.6°(0.25), 42.3°(0.49), 57.6°(0.19), 65.3°(0.07), 68.7°(0.06), 69.5°(0.07), 78.2°(0.07), 80.5°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-141978 | 2.86 10.97 5.08
97 73 90
Zn 0.400 0.800 0.200
Ni 0.001 0.009 0.997
Ni 0.601 0.202 0.797
Ni 0.199 0.398 0.603
Ni 0.799 0.591 0.403
O 0.980 0.183 0.040
O 0.577 0.376 0.845
O 0.175 0.571 0.650
O 0.772 0.761 0.457
O 0.380 0.997 0.239
O 0.223 0.224 0.555
O 0.820 0.417 0.360
O 0.420 0.603 0.161
O 0.028 0.839 0.943
O 0.625 0.... |
Below is a description of a material. | The chemical formula is: TbAgTe2.
The XRD pattern shows main peaks at: 22.7°(0.16), 25.9°(1.0), 28.1°(0.31), 31.6°(0.66), 34.1°(0.83), 35.8°(0.85), 40.4°(0.15), 42.4°(0.42), 42.8°(0.57), 44.7°(0.22), 46.3°(0.13), 48.1°(0.15), 51.5°(0.21), 53.2°(0.16), 56.7°(0.17), 61.6°(0.2), 67.4°(0.14), 68.8°(0.16), 73.7°(0.2), 74.8°... | JVASP-2250 | 7.10 7.10 4.71
90 90 90
Tb 0.500 0.000 0.187
Tb 0.000 0.500 0.813
Ag 0.000 0.000 0.000
Ag 0.500 0.500 0.000
Te 0.203 0.297 0.295
Te 0.703 0.203 0.705
Te 0.797 0.703 0.295
Te 0.297 0.797 0.705 |
Below is a description of a material. | The chemical formula is: SiTe2.
The XRD pattern shows main peaks at: 26.4°(0.25), 26.9°(0.13), 30.0°(1.0), 38.1°(0.25), 47.5°(0.24), 48.9°(0.26), 54.4°(0.05), 55.2°(0.18), 57.2°(0.16), 62.4°(0.06), 70.6°(0.09), 75.0°(0.1), 76.1°(0.06), 77.5°(0.13), 82.0°(0.05), 89.5°(0.09).
Generate atomic structure description with la... | JVASP-603 | 3.83 3.83 6.75
90 90 120
Si 0.000 0.000 0.000
Te 0.333 0.667 0.756
Te 0.667 0.333 0.244 |
Below is a description of a material. | The chemical formula is: Ti2AlO4.
The XRD pattern shows main peaks at: 18.4°(0.32), 30.3°(0.13), 35.7°(1.0), 43.4°(0.5), 57.4°(0.27), 63.0°(0.6), 79.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-58463 | 5.90 5.90 5.90
59 59 59
Ti 0.000 0.500 0.000
Ti 0.000 0.000 0.000
Ti 0.500 -0.000 -0.000
Ti 0.000 -0.000 0.500
Al 0.625 0.625 0.625
Al 0.375 0.375 0.375
O 0.256 0.748 0.748
O 0.252 0.252 0.744
O 0.252 0.744 0.252
O 0.252 0.252 0.252
O 0.748 0.748 0.256
O 0.744 0.252 0.252
O 0.748 0.256 0.748
O 0.748 0.748 0.748 |
Below is a description of a material. | The chemical formula is: InPO4.
The XRD pattern shows main peaks at: 19.8°(0.75), 22.1°(0.41), 23.7°(0.17), 26.0°(0.14), 32.9°(1.0), 33.3°(0.29), 34.4°(0.11), 37.5°(0.37), 42.7°(0.25), 45.1°(0.11), 46.2°(0.17), 48.6°(0.3), 52.8°(0.13), 53.5°(0.1), 57.6°(0.1), 59.3°(0.14), 62.2°(0.08), 63.8°(0.23), 66.5°(0.08), 67.1°(0.... | JVASP-10140 | 4.84 4.84 6.85
90 90 112
In 0.000 0.000 0.500
In 0.000 0.000 0.000
P 0.646 0.354 0.250
P 0.354 0.646 0.750
O 0.256 0.744 0.560
O 0.744 0.256 0.060
O 0.744 0.256 0.440
O 0.256 0.744 0.940
O 0.707 0.770 0.750
O 0.293 0.230 0.250
O 0.770 0.707 0.250
O 0.230 0.293 0.750 |
Below is a description of a material. | The chemical formula is: Al2HgS4.
The XRD pattern shows main peaks at: 14.8°(0.39), 24.2°(1.0), 28.5°(0.89), 37.7°(0.3), 42.6°(0.41), 45.4°(0.43), 49.6°(0.43).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116919 | 7.35 7.35 7.35
60 60 60
Al 0.125 0.625 0.625
Al 0.625 0.125 0.625
Al 0.625 0.625 0.125
Al 0.625 0.625 0.625
Hg 0.250 0.250 0.250
Hg 0.000 0.000 0.000
S 0.829 0.390 0.390
S 0.390 0.829 0.390
S 0.390 0.390 0.829
S 0.390 0.390 0.390
S 0.421 0.860 0.860
S 0.860 0.421 0.860
S 0.860 0.860 0.421
S 0.860 0.860 0.860 |
Below is a description of a material. | The chemical formula is: Cu3Ir.
The XRD pattern shows main peaks at: 24.1°(0.3), 34.3°(0.24), 42.4°(1.0), 49.3°(0.47), 55.6°(0.13), 61.5°(0.1), 72.3°(0.28), 77.5°(0.07), 87.6°(0.36).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126982 | 3.69 3.69 3.69
90 90 90
Cu 0.000 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.500 0.500 0.000
Ir 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaMnSi.
The XRD pattern shows main peaks at: 25.0°(1.0), 31.1°(0.35), 32.7°(0.91), 33.4°(0.58), 36.5°(0.28), 39.7°(0.81), 44.5°(0.58), 51.7°(0.3), 54.6°(0.33), 56.3°(0.4), 58.9°(0.24), 59.5°(0.09), 64.7°(0.17), 71.8°(0.1), 73.0°(0.26), 73.5°(0.07), 74.8°(0.1), 76.7°(0.11), 78.7°(0.2), 89.6°(0.0... | JVASP-149307 | 4.07 4.07 7.38
90 90 90
La 0.250 0.250 0.677
La 0.750 0.750 0.323
Mn 0.750 0.250 0.000
Mn 0.250 0.750 0.000
Si 0.250 0.250 0.175
Si 0.750 0.750 0.825 |
Below is a description of a material. | The chemical formula is: Y2ZnRu.
The XRD pattern shows main peaks at: 36.6°(1.0), 52.7°(0.16), 65.9°(0.34), 77.8°(0.1), 89.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41669 | 4.91 4.91 4.91
60 60 60
Y 0.000 0.000 0.000
Y 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: TaGaO.
The XRD pattern shows main peaks at: 20.8°(0.21), 29.3°(0.34), 36.3°(1.0), 42.4°(0.17), 52.0°(0.24), 52.4°(0.16), 56.7°(0.08), 60.9°(0.05), 65.1°(0.19), 69.3°(0.23), 73.6°(0.12), 77.0°(0.05), 87.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-186517 | 3.51 3.51 4.26
90 90 120
Ta 0.667 0.333 0.500
Ga 0.000 0.000 -0.000
O 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: BaCaMg2.
The XRD pattern shows main peaks at: 15.0°(0.43), 21.2°(0.4), 22.0°(0.19), 26.7°(0.24), 30.2°(0.58), 30.7°(1.0), 33.9°(0.12), 37.7°(0.17), 40.7°(0.15), 43.2°(0.2), 44.8°(0.09), 49.0°(0.09), 54.0°(0.42), 55.0°(0.2), 64.0°(0.12), 71.5°(0.09), 73.9°(0.08), 87.4°(0.11), 88.2°(0.1), 89.6°(0... | JVASP-65733 | 5.92 5.92 4.04
90 90 90
Ba 0.500 0.500 0.500
Ca 0.000 0.000 0.500
Mg 0.500 0.000 0.000
Mg 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: AgSbS.
The XRD pattern shows main peaks at: 13.4°(1.0), 18.6°(0.54), 23.0°(0.56), 27.0°(0.23), 30.3°(0.15), 33.0°(0.26), 35.8°(0.2), 37.8°(0.09), 40.3°(0.12), 41.0°(0.12), 43.3°(0.14), 45.4°(0.18), 47.0°(0.08), 47.5°(0.16), 49.1°(0.07), 49.8°(0.08), 53.6°(0.13), 57.0°(0.09), 58.8°(0.09), 64.1°(... | JVASP-114765 | 6.60 6.60 4.76
90 90 90
Ag 0.334 -0.003 0.000
Sb -0.009 -0.060 0.000
S -0.003 0.335 0.000 |
Below is a description of a material. | The chemical formula is: SrCaSi.
The XRD pattern shows main peaks at: 21.3°(0.75), 35.2°(1.0), 41.5°(0.41), 50.6°(0.17), 55.5°(0.14), 63.1°(0.35), 74.4°(0.1), 85.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40843 | 5.10 5.10 5.10
60 60 60
Sr 0.250 0.250 0.250
Ca 0.000 0.000 0.000
Si 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TaTiC2.
The XRD pattern shows main peaks at: 17.4°(0.59), 33.6°(0.39), 35.2°(1.0), 40.9°(0.73), 44.7°(0.18), 54.0°(0.14), 59.2°(0.38), 70.7°(0.36), 74.3°(0.12), 88.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100800 | 5.40 5.40 5.40
33 33 33
Ta 0.000 0.000 0.000
Ti 0.500 0.500 0.500
C 0.751 0.751 0.751
C 0.249 0.249 0.249 |
Below is a description of a material. | The chemical formula is: Te2Mo3WSe2S4.
The XRD pattern shows main peaks at: 6.7°(1.0), 13.5°(0.83), 16.9°(0.13), 31.2°(0.52), 34.1°(0.2), 55.5°(0.34), 57.4°(0.1), 65.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28648 | 3.31 3.31 26.23
90 90 120
Te 0.333 0.666 0.824
Te 0.333 0.665 0.678
Mo 0.333 0.666 0.008
Mo 0.334 0.669 0.494
Mo 0.666 0.332 0.751
W 0.666 0.333 0.251
Se 0.333 0.666 0.315
Se 0.333 0.666 0.186
S 0.666 0.333 0.950
S 0.668 0.335 0.435
S 0.666 0.333 0.066
S 0.668 0.335 0.552 |
Below is a description of a material. | The chemical formula is: SrSm3Mn4O12.
The XRD pattern shows main peaks at: 23.0°(0.17), 25.8°(0.11), 32.4°(0.21), 32.9°(1.0), 34.5°(0.07), 40.2°(0.09), 40.7°(0.11), 47.0°(0.24), 47.3°(0.15), 54.0°(0.09), 58.1°(0.11), 58.9°(0.32), 68.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinat... | JVASP-168914 | 5.42 5.52 7.68
89 89 89
Sr 0.507 0.534 0.250
Sm 0.008 0.953 0.750
Sm 0.489 0.448 0.750
Sm 0.988 0.050 0.250
Mn 0.501 0.997 0.000
Mn 0.998 0.502 -0.000
Mn 0.998 0.502 0.500
Mn 0.501 0.997 0.500
O 0.215 0.213 0.546
O 0.719 0.280 0.471
O 0.799 0.799 0.463
O 0.287 0.713 0.549
O 0.799 0.799 0.036
O 0.287 0.713 0.951
O 0.215... |
Below is a description of a material. | The chemical formula is: Mg7Fe.
The XRD pattern shows main peaks at: 16.5°(0.15), 24.6°(0.06), 33.3°(0.24), 36.7°(0.24), 38.2°(1.0), 50.4°(0.15), 59.6°(0.16), 67.0°(0.17), 72.0°(0.17), 73.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91891 | 6.21 6.21 4.90
90 90 120
Mg 0.167 0.834 0.250
Mg 0.666 0.333 0.250
Mg 0.666 0.834 0.250
Mg 0.325 0.175 0.750
Mg 0.325 0.649 0.750
Mg 0.851 0.175 0.750
Mg 0.833 0.667 0.750
Fe 0.167 0.333 0.250 |
Below is a description of a material. | The chemical formula is: CaBeTe2.
The XRD pattern shows main peaks at: 22.6°(0.69), 28.4°(0.41), 30.3°(0.32), 33.8°(1.0), 42.0°(0.14), 43.7°(0.26), 49.8°(0.16), 52.9°(0.28), 53.8°(0.25), 54.1°(0.13), 55.7°(0.06), 58.7°(0.05), 62.2°(0.08), 63.5°(0.08), 71.0°(0.13), 73.9°(0.21), 76.0°(0.09), 87.9°(0.14).
Generate atomic ... | JVASP-68558 | 6.94 6.94 6.94
145 145 49
Ca 0.750 0.250 0.500
Be 0.500 0.500 0.000
Te 0.000 0.000 0.000
Te 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: FeP2S6.
The XRD pattern shows main peaks at: 14.3°(0.42), 17.7°(0.41), 22.9°(0.22), 28.8°(0.23), 34.3°(1.0), 42.8°(0.2), 46.7°(0.15), 54.7°(0.17), 55.1°(0.3), 66.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-30172 | 5.77 5.77 6.19
89 89 120
Fe 0.333 0.667 0.500
P -0.000 -0.000 0.675
P 0.000 0.000 0.325
S 0.026 0.666 0.744
S 0.027 0.361 0.256
S 0.333 0.360 0.744
S 0.334 0.974 0.256
S 0.640 0.667 0.256
S 0.639 0.973 0.744 |
Below is a description of a material. | The chemical formula is: Y2FeB.
The XRD pattern shows main peaks at: 24.1°(0.32), 27.9°(0.05), 39.8°(1.0), 47.1°(0.16), 57.6°(0.16), 63.3°(0.07), 72.3°(0.32), 85.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51330 | 4.53 4.53 4.53
60 60 59
Y -0.000 0.000 0.000
Y 0.750 0.750 0.750
Fe 0.250 0.250 0.250
B 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li2ZnCdP2.
The XRD pattern shows main peaks at: 12.9°(0.06), 25.9°(1.0), 30.0°(0.28), 43.0°(0.71), 50.9°(0.45), 53.4°(0.06), 62.4°(0.12), 78.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170539 | 4.20 4.20 7.30
73 90 120
Li 0.873 0.747 0.380
Li 0.376 0.751 0.873
Zn 0.125 0.250 0.626
Cd 0.625 0.249 0.126
P 0.005 0.011 0.984
P 0.496 0.993 0.511 |
Below is a description of a material. | The chemical formula is: LiNdHg2.
The XRD pattern shows main peaks at: 21.2°(0.15), 24.6°(0.25), 35.0°(1.0), 41.3°(0.08), 43.3°(0.07), 50.4°(0.18), 56.8°(0.11), 62.8°(0.37), 74.0°(0.12), 79.3°(0.05), 84.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41709 | 5.12 5.12 5.12
59 60 60
Li 0.250 0.250 0.250
Nd 0.750 0.750 0.750
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LaOF.
The XRD pattern shows main peaks at: 26.6°(1.0), 31.0°(0.19), 37.9°(0.08), 44.1°(0.39), 52.5°(0.33), 54.9°(0.07), 64.5°(0.07), 70.8°(0.08), 73.2°(0.05), 81.5°(0.12), 87.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86964 | 4.08 4.08 5.83
90 90 90
La 0.250 0.250 0.716
La 0.750 0.750 0.284
O 0.750 0.250 0.500
O 0.250 0.750 0.500
F 0.250 0.750 0.000
F 0.750 0.250 0.000 |
Below is a description of a material. | The chemical formula is: Yb.
The XRD pattern shows main peaks at: 27.5°(0.34), 28.1°(0.15), 29.0°(0.52), 30.3°(1.0), 31.8°(0.84), 37.9°(0.16), 42.8°(0.11), 48.3°(0.38), 51.2°(0.24), 54.2°(0.2), 57.3°(0.43), 58.1°(0.16), 59.0°(0.14), 73.0°(0.05), 78.9°(0.12), 79.7°(0.12), 80.6°(0.06).
Generate atomic structure descripti... | JVASP-25372 | 3.77 3.77 9.49
78 101 120
Yb 0.000 0.000 0.000
Yb 0.778 0.222 0.333
Yb 0.222 0.778 0.667 |
Below is a description of a material. | The chemical formula is: RbInTeO.
The XRD pattern shows main peaks at: 10.3°(0.15), 16.8°(0.41), 20.8°(0.21), 22.6°(0.38), 26.5°(0.63), 29.0°(0.21), 32.0°(1.0), 33.4°(0.11), 33.9°(0.18), 35.1°(0.14), 37.5°(0.13), 39.7°(0.13), 40.7°(0.25), 44.3°(0.1), 46.5°(0.16), 49.2°(0.43), 50.3°(0.3), 54.0°(0.11), 55.4°(0.11), 68.6°... | JVASP-159901 | 4.44 8.56 6.73
90 90 90
Rb 0.000 0.214 0.089
Rb 0.000 0.786 0.589
In 0.500 0.867 0.053
In 0.500 0.133 0.553
Te 0.000 0.665 0.091
Te 0.000 0.335 0.591
O 0.500 0.049 0.259
O 0.500 0.951 0.758 |
Below is a description of a material. | The chemical formula is: AuClO2.
The XRD pattern shows main peaks at: 17.4°(0.75), 24.5°(0.17), 27.4°(1.0), 28.8°(0.06), 30.2°(0.42), 35.2°(0.06), 37.2°(0.48), 43.4°(0.23), 44.9°(0.28), 50.1°(0.13), 52.2°(0.2), 53.3°(0.13), 56.5°(0.14), 59.7°(0.1), 64.3°(0.08), 69.6°(0.06), 70.2°(0.07), 73.6°(0.06), 74.7°(0.07), 79.3°(... | JVASP-12188 | 3.90 6.26 6.26
108 90 90
Au 0.500 0.267 0.267
Au 0.000 0.733 0.733
Cl 0.750 0.639 0.361
Cl 0.250 0.361 0.639
O 0.290 0.798 0.023
O 0.790 0.202 0.977
O 0.710 0.023 0.798
O 0.210 0.977 0.202 |
Below is a description of a material. | The chemical formula is: TaC3.
The XRD pattern shows main peaks at: 19.1°(0.86), 30.8°(0.88), 36.5°(1.0), 38.8°(0.24), 50.4°(0.47), 54.8°(0.22), 58.6°(0.28), 64.3°(0.11), 67.7°(0.19), 68.8°(0.18), 69.2°(0.25), 77.7°(0.13), 85.5°(0.1), 89.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coord... | JVASP-124896 | 3.35 3.35 4.64
90 90 120
Ta 0.000 0.000 0.000
C 0.000 0.000 0.500
C 0.667 0.333 0.000
C 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: YAsRh.
The XRD pattern shows main peaks at: 24.4°(0.4), 28.2°(0.07), 40.3°(1.0), 47.7°(0.2), 58.4°(0.16), 64.2°(0.08), 73.3°(0.33), 78.6°(0.06), 87.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75561 | 4.47 4.47 4.47
60 60 60
Y 0.000 0.000 0.000
As 0.500 0.500 0.500
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li4Mn3CoO8.
The XRD pattern shows main peaks at: 18.6°(1.0), 34.4°(0.19), 37.0°(0.18), 41.4°(0.28), 45.1°(0.42), 47.6°(0.05), 59.5°(0.09), 62.9°(0.13), 65.1°(0.07), 66.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-144286 | 4.96 5.01 5.97
87 86 107
Li 0.500 0.500 0.500
Li 0.500 0.500 0.000
Li 0.004 0.502 0.246
Li -0.004 0.498 0.754
Mn -0.000 -0.000 0.500
Mn 0.501 0.003 0.247
Mn 0.499 -0.003 0.753
Co 0.000 0.000 -0.000
O 0.749 0.239 0.016
O 0.251 0.761 0.984
O 0.252 0.234 0.263
O 0.748 0.766 0.737
O 0.757 0.236 0.519
O 0.243 0.764 0.480
O ... |
Below is a description of a material. | The chemical formula is: Li2TiTeO6.
The XRD pattern shows main peaks at: 20.3°(0.49), 20.9°(1.0), 25.2°(0.13), 32.9°(0.6), 35.2°(0.08), 36.2°(0.12), 40.7°(0.08), 41.3°(0.24), 42.3°(0.13), 49.9°(0.08), 51.7°(0.18), 52.4°(0.24), 56.3°(0.07), 57.2°(0.13), 61.7°(0.11), 63.6°(0.12), 69.0°(0.14).
Generate atomic structure de... | JVASP-50374 | 4.91 5.10 8.53
90 90 90
Li 0.000 0.000 0.307
Li 0.500 0.000 0.173
Li 0.000 0.500 0.673
Li 0.500 0.500 0.807
Ti 0.000 0.000 0.891
Ti 0.500 0.500 0.391
Te 0.500 0.000 0.587
Te 0.000 0.500 0.087
O 0.205 0.180 0.074
O 0.705 0.320 0.574
O 0.793 0.324 0.918
O 0.757 0.348 0.244
O 0.243 0.652 0.244
O 0.707 0.824 0.418
O 0.295 ... |
Below is a description of a material. | The chemical formula is: Tb8C.
The XRD pattern shows main peaks at: 29.3°(0.18), 30.0°(0.28), 31.3°(0.28), 32.9°(1.0), 34.9°(0.28), 51.5°(0.31), 62.4°(0.15), 85.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130043 | 3.55 3.55 23.35
90 90 120
Tb 0.000 0.000 0.198
Tb 0.667 0.333 0.059
Tb 0.667 0.333 0.317
Tb 0.667 0.333 0.561
Tb 0.333 0.667 0.439
Tb 0.333 0.667 0.683
Tb 0.333 0.667 0.941
Tb 0.000 0.000 0.802
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KBaPb.
The XRD pattern shows main peaks at: 18.7°(0.68), 21.6°(0.1), 30.8°(1.0), 36.3°(0.39), 44.1°(0.19), 48.3°(0.19), 54.7°(0.37), 58.4°(0.14), 64.1°(0.12), 67.4°(0.13), 72.8°(0.17), 84.2°(0.07), 89.2°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-63911 | 5.81 5.81 5.81
60 60 60
K 0.000 0.000 0.000
Ba 0.750 0.750 0.750
Pb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgMoN.
The XRD pattern shows main peaks at: 13.1°(1.0), 26.3°(0.38), 30.9°(0.9), 33.7°(0.39), 40.0°(0.08), 41.0°(0.49), 44.2°(0.31), 46.3°(0.16), 51.3°(0.15), 52.2°(0.25), 54.2°(0.07), 61.1°(0.09), 63.7°(0.16), 64.3°(0.09), 70.8°(0.1), 72.5°(0.11), 73.1°(0.13), 74.6°(0.08), 79.2°(0.15), 86.7°(0... | JVASP-116318 | 2.90 2.90 6.77
90 90 90
Mg 0.000 0.000 0.295
Mo 0.000 0.000 0.750
N 0.000 0.000 -0.004 |
Below is a description of a material. | The chemical formula is: CeRh.
The XRD pattern shows main peaks at: 31.8°(0.5), 33.2°(1.0), 39.0°(0.14), 40.3°(0.63), 44.9°(0.24), 47.3°(0.21), 52.3°(0.14), 56.1°(0.19), 57.1°(0.06), 58.1°(0.17), 62.6°(0.09), 67.3°(0.21), 70.9°(0.07), 75.3°(0.09), 76.3°(0.15), 78.8°(0.08), 79.7°(0.09), 80.3°(0.09), 83.2°(0.08), 89.7°(0... | JVASP-35755 | 3.84 4.04 5.95
90 71 90
Ce 0.137 0.750 0.726
Ce 0.863 0.250 0.274
Rh 0.402 0.750 0.196
Rh 0.598 0.250 0.804 |
Below is a description of a material. | The chemical formula is: Re2GeAs.
The XRD pattern shows main peaks at: 24.3°(0.21), 40.3°(1.0), 47.6°(0.11), 58.3°(0.16), 73.2°(0.37), 87.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75884 | 4.48 4.48 4.48
60 60 60
Re 0.000 0.000 0.000
Re 0.250 0.250 0.250
Ge 0.750 0.750 0.750
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Fe4As2O11.
The XRD pattern shows main peaks at: 16.7°(0.13), 21.1°(0.19), 27.1°(0.14), 28.2°(1.0), 29.4°(0.49), 30.1°(0.39), 31.5°(0.23), 33.0°(0.17), 33.9°(0.16), 35.5°(0.2), 36.1°(0.35), 38.6°(0.16), 42.9°(0.16), 45.2°(0.16), 58.3°(0.12), 62.9°(0.16), 63.9°(0.14), 64.7°(0.12), 65.1°(0.14), 65... | JVASP-119706 | 5.03 6.44 6.69
108 106 97
Fe 0.106 0.751 0.028
Fe 0.894 0.249 0.972
Fe 0.662 0.633 0.250
Fe 0.338 0.367 0.750
As 0.340 0.813 0.608
As 0.660 0.187 0.392
O 0.473 0.092 0.800
O 0.795 0.348 0.263
O 0.205 0.652 0.737
O 0.382 0.279 0.461
O 0.000 0.000 0.000
O 0.924 0.198 0.632
O 0.527 0.908 0.200
O 0.257 0.468 0.051
O 0.743 ... |
Below is a description of a material. | The chemical formula is: Tb3Mn3Ga2Ge.
The XRD pattern shows main peaks at: 21.4°(0.12), 25.6°(0.15), 29.7°(0.24), 33.6°(0.88), 36.9°(1.0), 39.6°(0.36), 43.6°(0.26), 45.2°(0.13), 53.6°(0.1), 55.0°(0.16), 59.7°(0.32), 60.3°(0.2), 64.6°(0.09), 72.1°(0.17), 73.6°(0.09), 75.6°(0.12).
Generate atomic structure description wi... | JVASP-107519 | 6.95 6.95 4.16
90 90 120
Tb 0.246 0.332 0.500
Tb 0.086 0.754 0.500
Tb 0.668 0.914 0.500
Mn 0.888 0.328 0.000
Mn 0.440 0.112 0.000
Mn 0.672 0.560 0.000
Ga 0.333 0.667 0.000
Ga 0.667 0.333 0.500
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SnIF.
The XRD pattern shows main peaks at: 10.3°(0.18), 20.7°(0.53), 27.7°(1.0), 29.6°(0.07), 31.3°(0.19), 34.8°(0.56), 39.6°(0.35), 42.2°(0.32), 45.1°(0.25), 51.2°(0.21), 53.4°(0.07), 57.2°(0.13), 61.2°(0.19), 64.7°(0.18), 66.6°(0.09), 68.7°(0.17), 73.6°(0.14), 82.0°(0.08), 88.6°(0.15).
Genera... | JVASP-118244 | 3.22 3.22 8.58
90 90 90
Sn 0.000 0.000 0.594
I 0.000 0.000 0.000
F 0.000 0.000 0.362 |
Below is a description of a material. | The chemical formula is: LiInTe6Mo6.
The XRD pattern shows main peaks at: 10.9°(1.0), 27.2°(0.43), 29.2°(0.5), 35.2°(0.74), 38.7°(0.13), 39.0°(0.34), 40.2°(0.19), 43.4°(0.3), 44.9°(0.5), 49.5°(0.14), 53.2°(0.11), 57.3°(0.12), 68.3°(0.09), 74.8°(0.1), 77.6°(0.05).
Generate atomic structure description with lattice lengt... | JVASP-145396 | 9.35 9.35 4.61
90 90 120
Li 0.000 0.000 0.500
In 0.667 0.333 0.000
Te -0.049 0.362 0.500
Te 0.638 0.589 0.500
Te 0.411 0.049 0.500
Te 0.721 -0.030 0.000
Te 0.030 0.751 0.000
Te 0.249 0.279 0.000
Mo 0.295 0.487 0.500
Mo 0.513 0.808 0.500
Mo 0.192 0.705 0.500
Mo 0.372 0.846 0.000
Mo 0.154 0.526 0.000
Mo 0.474 0.628 0.000 |
Below is a description of a material. | The chemical formula is: NaTl2In.
The XRD pattern shows main peaks at: 8.3°(1.0), 9.6°(0.37), 13.5°(0.17), 15.9°(0.24), 16.6°(0.23), 19.2°(0.07), 20.9°(0.13), 23.6°(0.1), 25.0°(0.15), 29.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-76831 | 12.00 12.80 12.80
61 62 62
Na 0.000 0.000 0.000
Tl 0.739 0.000 0.000
Tl 0.261 -0.000 -0.000
In 0.500 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: PrSiRu2C.
The XRD pattern shows main peaks at: 26.8°(0.15), 29.4°(0.22), 33.0°(0.55), 34.5°(1.0), 35.3°(0.26), 40.8°(0.31), 44.7°(0.13), 45.7°(0.22), 50.6°(0.12), 55.5°(0.09), 58.5°(0.13), 61.2°(0.2), 62.9°(0.18), 64.3°(0.08), 69.7°(0.06), 73.8°(0.07), 74.7°(0.07), 77.3°(0.06), 86.5°(0.06).
Gen... | JVASP-103000 | 5.92 5.92 7.23
90 90 140
Pr 0.551 0.449 0.250
Pr 0.449 0.551 0.750
Si 0.272 0.728 0.250
Si 0.728 0.272 0.750
Ru 0.835 0.165 0.058
Ru 0.165 0.835 0.942
Ru 0.165 0.835 0.558
Ru 0.835 0.165 0.442
C 0.000 0.000 0.000
C 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ce3Cd.
The XRD pattern shows main peaks at: 32.7°(1.0), 37.4°(0.17), 38.3°(0.33), 54.6°(0.25), 55.2°(0.12), 64.6°(0.15), 65.7°(0.29), 68.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100158 | 5.84 5.84 5.84
132 132 69
Ce 0.750 0.250 0.500
Ce 0.250 0.750 0.500
Ce 0.500 0.500 -0.000
Cd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CoO2.
The XRD pattern shows main peaks at: 20.6°(1.0), 37.4°(0.46), 39.4°(0.1), 46.5°(0.54), 51.4°(0.13), 63.0°(0.14), 66.2°(0.17), 69.6°(0.12), 70.1°(0.16), 84.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-30123 | 2.82 4.61 4.89
100 90 72
Co 0.000 0.000 0.000
Co 0.500 -0.000 0.500
O 0.893 0.214 0.369
O 0.393 0.214 0.869
O 0.107 0.786 0.631
O 0.607 0.786 0.131 |
Below is a description of a material. | The chemical formula is: TiAl3.
The XRD pattern shows main peaks at: 22.3°(0.09), 31.7°(0.07), 39.1°(1.0), 45.5°(0.47), 66.3°(0.29), 79.7°(0.33), 84.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37038 | 3.99 3.99 3.99
90 90 90
Ti 0.000 0.000 0.000
Al 0.500 0.500 0.000
Al 0.500 0.000 0.500
Al 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaTe.
The XRD pattern shows main peaks at: 24.3°(0.43), 28.1°(1.0), 40.2°(0.67), 47.5°(0.22), 49.7°(0.26), 58.1°(0.12), 65.7°(0.3), 73.0°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1318 | 4.49 4.49 4.49
60 60 59
Ca 0.000 0.000 0.000
Te 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er2NiSn6.
The XRD pattern shows main peaks at: 23.6°(0.09), 25.6°(0.09), 29.1°(0.06), 31.2°(0.64), 31.7°(0.3), 35.1°(1.0), 40.3°(0.1), 40.9°(0.29), 41.5°(0.38), 52.6°(0.14), 53.1°(0.15), 59.7°(0.26), 68.5°(0.07), 69.2°(0.17), 70.8°(0.13), 71.6°(0.13).
Generate atomic structure description with ... | JVASP-150386 | 11.51 11.51 4.41
90 90 158
Er 0.178 0.822 0.000
Er 0.822 0.178 0.000
Ni 0.500 0.500 0.500
Sn 0.430 0.570 0.000
Sn 0.570 0.430 0.000
Sn 0.071 0.929 0.500
Sn 0.929 0.071 0.500
Sn 0.705 0.295 0.500
Sn 0.295 0.705 0.500 |
Below is a description of a material. | The chemical formula is: BaPd2.
The XRD pattern shows main peaks at: 31.3°(0.36), 36.8°(1.0), 38.5°(0.34), 59.4°(0.33), 65.2°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19809 | 5.72 5.72 5.72
60 59 60
Ba 0.125 0.125 0.125
Ba 0.875 0.875 0.875
Pd 0.500 0.000 0.500
Pd -0.000 0.500 0.500
Pd 0.500 0.500 0.500
Pd 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Y2BPd.
The XRD pattern shows main peaks at: 22.7°(0.28), 26.3°(0.07), 37.6°(1.0), 44.4°(0.14), 54.2°(0.17), 59.5°(0.06), 67.8°(0.36), 80.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179066 | 4.79 4.79 4.79
60 60 60
Y 0.750 0.750 0.750
Y 0.250 0.250 0.250
B 0.000 -0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CuCl2.
The XRD pattern shows main peaks at: 19.6°(0.68), 24.2°(1.0), 31.3°(0.43), 39.9°(0.49), 44.9°(0.16), 47.2°(0.57), 49.5°(0.12), 51.6°(0.22), 53.8°(0.1), 57.7°(0.15), 63.5°(0.22), 65.4°(0.2), 69.0°(0.08), 79.4°(0.1), 81.1°(0.06).
Generate atomic structure description with lattice lengths, ... | JVASP-105092 | 4.52 4.52 3.68
90 90 90
Cu 0.000 0.000 0.000
Cl 0.500 0.000 0.000
Cl 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: La3N.
The XRD pattern shows main peaks at: 22.8°(0.11), 28.4°(1.0), 29.2°(0.43), 30.7°(0.79), 38.6°(0.08), 41.1°(0.21), 43.4°(0.09), 46.6°(0.13), 50.5°(0.08), 51.8°(0.16), 52.7°(0.07), 54.1°(0.18), 55.3°(0.07), 55.8°(0.09), 56.9°(0.17), 58.8°(0.06), 63.9°(0.09), 71.9°(0.06), 72.5°(0.06), 75.7°(... | JVASP-181108 | 5.85 5.85 3.90
90 90 115
La 0.769 0.116 0.377
La 0.116 0.769 0.377
La 0.426 0.426 0.879
N 0.200 0.200 0.377 |
Below is a description of a material. | The chemical formula is: Yb3Kr.
The XRD pattern shows main peaks at: 15.8°(0.05), 27.5°(1.0), 31.8°(0.5), 45.6°(0.36), 54.1°(0.47), 56.7°(0.13), 66.5°(0.06), 73.4°(0.19), 75.6°(0.16), 84.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128345 | 5.62 5.62 5.62
90 90 90
Yb 0.000 0.500 0.500
Yb 0.500 0.000 0.500
Yb 0.500 0.500 0.000
Kr 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrIn2Hg2.
The XRD pattern shows main peaks at: 20.4°(0.55), 27.3°(0.19), 28.1°(0.34), 30.5°(0.68), 38.9°(1.0), 39.4°(0.5), 41.2°(0.08), 44.4°(0.16), 48.7°(0.17), 56.3°(0.21), 56.6°(0.34), 58.0°(0.11), 65.4°(0.16), 70.5°(0.22), 78.4°(0.1), 83.7°(0.07).
Generate atomic structure description with ... | JVASP-92542 | 4.62 4.62 7.34
108 108 90
Sr 0.000 0.000 0.000
In 0.250 0.750 0.500
In 0.750 0.250 0.500
Hg 0.607 0.607 0.214
Hg 0.393 0.393 0.786 |
Below is a description of a material. | The chemical formula is: CeNi4B.
The XRD pattern shows main peaks at: 32.9°(0.86), 36.0°(0.29), 38.5°(0.15), 41.8°(0.77), 43.9°(0.1), 44.6°(1.0), 52.2°(0.14), 62.8°(0.23), 65.0°(0.14), 69.0°(0.16), 70.7°(0.25), 76.3°(0.22), 81.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-169462 | 4.99 4.99 7.01
90 90 119
Ce 1.000 -0.000 -0.000
Ce 1.000 0.000 0.500
Ni 0.333 0.667 -0.000
Ni 0.667 0.333 -0.000
Ni 0.500 0.000 0.291
Ni 0.500 0.500 0.291
Ni 1.000 0.500 0.291
Ni 0.500 0.000 0.709
Ni 0.500 0.500 0.709
Ni 1.000 0.500 0.709
B 0.333 0.667 0.500
B 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Be2InRe.
The XRD pattern shows main peaks at: 27.5°(1.0), 40.8°(0.34), 42.2°(0.75), 52.2°(0.19), 60.0°(0.23), 68.3°(0.15), 69.4°(0.15), 77.3°(0.12), 83.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69870 | 4.94 4.94 4.94
138 138 60
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
In 0.500 0.500 0.000
Re 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Ba2InO3F.
The XRD pattern shows main peaks at: 12.5°(0.12), 28.5°(1.0), 30.1°(0.72), 33.2°(0.08), 38.4°(0.22), 39.7°(0.14), 43.1°(0.36), 52.5°(0.36), 59.1°(0.11), 62.6°(0.11), 70.2°(0.07), 71.0°(0.12), 86.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-153061 | 4.20 4.20 14.12
90 90 90
Ba 0.250 0.250 0.381
Ba 0.750 0.750 0.619
Ba 0.250 0.250 0.102
Ba 0.750 0.750 0.898
In 0.750 0.750 0.232
In 0.250 0.250 0.768
O 0.750 0.250 0.259
O 0.250 0.750 0.259
O 0.250 0.750 0.741
O 0.750 0.250 0.741
O 0.750 0.750 0.081
O 0.250 0.250 0.919
F 0.750 0.750 0.427
F 0.250 0.250 0.573 |
Below is a description of a material. | The chemical formula is: Tb3Pt.
The XRD pattern shows main peaks at: 18.6°(0.3), 20.8°(0.24), 30.4°(0.58), 31.3°(0.58), 31.8°(1.0), 33.4°(0.39), 33.8°(0.55), 34.6°(0.6), 35.9°(0.39), 37.7°(0.28), 38.1°(0.46), 39.0°(0.28), 41.0°(0.3), 42.1°(0.26), 48.0°(0.32), 54.1°(0.17), 56.5°(0.25), 57.5°(0.27), 58.5°(0.17), 66.7°(0.... | JVASP-153314 | 6.48 7.03 9.56
90 90 90
Tb 0.823 0.182 0.941
Tb 0.323 0.318 0.059
Tb 0.177 0.818 0.441
Tb 0.677 0.682 0.559
Tb 0.177 0.818 0.059
Tb 0.677 0.682 0.941
Tb 0.823 0.182 0.559
Tb 0.323 0.318 0.441
Tb 0.369 0.023 0.750
Tb 0.869 0.477 0.250
Tb 0.631 0.977 0.250
Tb 0.131 0.523 0.750
Pt 0.554 0.388 0.750
Pt 0.054 0.112 0.250
Pt... |
Below is a description of a material. | The chemical formula is: LiF2.
The XRD pattern shows main peaks at: 28.7°(0.8), 31.5°(1.0), 43.1°(0.42), 48.2°(0.13), 57.0°(0.25), 58.7°(0.12), 59.5°(0.11), 65.7°(0.08), 66.6°(0.29), 68.8°(0.12), 88.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118893 | 3.11 2.84 3.78
90 90 90
Li 0.467 0.000 0.133
F -0.033 0.000 -0.611
F -0.033 0.000 0.878 |
Below is a description of a material. | The chemical formula is: CaPO.
The XRD pattern shows main peaks at: 26.9°(1.0), 28.0°(0.15), 38.4°(0.33), 39.2°(0.22), 42.6°(0.06), 48.2°(0.12), 51.1°(0.14), 55.5°(0.11), 58.7°(0.09), 62.7°(0.13), 70.1°(0.08), 78.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-138462 | 3.31 3.31 6.37
90 90 90
Ca 0.000 0.000 0.396
P 0.000 0.000 -0.027
O 0.000 0.000 0.731 |
Below is a description of a material. | The chemical formula is: CaZrS2.
The XRD pattern shows main peaks at: 17.8°(0.28), 25.1°(0.39), 30.9°(1.0), 36.1°(0.72), 40.5°(0.07), 44.4°(0.26), 48.2°(0.55), 51.5°(0.13), 51.9°(0.24), 58.5°(0.14), 61.7°(0.13), 64.5°(0.24), 73.6°(0.15), 76.2°(0.14), 84.1°(0.05), 84.8°(0.1), 87.6°(0.11).
Generate atomic structure descr... | JVASP-113569 | 4.98 4.98 3.55
90 90 90
Ca 0.500 0.500 0.500
Zr 0.000 0.000 0.000
S 0.500 0.000 0.000
S 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ErAl2Ni.
The XRD pattern shows main peaks at: 22.0°(0.23), 23.7°(0.65), 26.0°(0.48), 31.7°(0.1), 35.5°(0.96), 37.3°(1.0), 38.3°(0.57), 43.6°(0.13), 44.9°(0.29), 52.6°(0.2), 53.7°(0.37), 54.4°(0.13), 59.4°(0.16), 60.4°(0.3), 66.3°(0.12), 69.7°(0.13), 73.1°(0.11), 76.6°(0.11), 77.7°(0.12), 79.3°(... | JVASP-149952 | 5.40 5.40 6.84
90 90 136
Er 0.562 0.438 0.750
Er 0.438 0.562 0.250
Al 0.846 0.154 0.946
Al 0.154 0.846 0.446
Al 0.846 0.154 0.554
Al 0.154 0.846 0.054
Ni 0.285 0.715 0.750
Ni 0.715 0.285 0.250 |
Below is a description of a material. | The chemical formula is: PuSb.
The XRD pattern shows main peaks at: 21.7°(0.07), 24.7°(0.1), 33.1°(1.0), 35.3°(0.44), 41.8°(0.06), 44.2°(0.12), 50.7°(0.14), 57.8°(0.22), 62.0°(0.33), 69.5°(0.12), 74.3°(0.1), 84.1°(0.08), 85.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-4969 | 3.60 3.60 4.10
90 90 90
Pu 0.000 0.000 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li3NdSb2.
The XRD pattern shows main peaks at: 12.1°(0.23), 25.5°(1.0), 33.3°(0.64), 39.3°(0.41), 41.3°(0.07), 43.5°(0.22), 47.5°(0.2), 49.8°(0.06), 52.5°(0.17), 55.0°(0.07), 60.1°(0.09), 63.3°(0.16), 65.3°(0.16), 67.5°(0.16), 68.3°(0.08), 71.3°(0.07), 74.2°(0.09).
Generate atomic structure des... | JVASP-35932 | 4.58 4.58 7.32
90 90 120
Li 0.000 0.000 0.500
Li 0.667 0.333 0.353
Li 0.333 0.667 0.647
Nd 0.000 0.000 0.000
Sb 0.667 0.333 0.743
Sb 0.333 0.667 0.257 |
Below is a description of a material. | The chemical formula is: AgSbTe3Pb.
The XRD pattern shows main peaks at: 28.5°(1.0), 40.6°(0.79), 50.4°(0.32), 59.0°(0.1), 66.7°(0.24), 74.0°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170799 | 4.43 6.30 7.67
114 106 90
Ag 0.005 0.005 0.009
Sb 0.329 0.329 0.658
Te 0.346 0.846 0.692
Te 0.988 0.488 0.976
Te 0.658 0.158 0.317
Pb 0.674 0.674 0.348 |
Below is a description of a material. | The chemical formula is: BaSr2Pb.
The XRD pattern shows main peaks at: 8.6°(0.57), 17.3°(0.05), 27.3°(1.0), 29.8°(0.51), 31.1°(0.13), 33.7°(0.27), 35.0°(0.06), 41.1°(0.1), 42.7°(0.17), 43.6°(0.05), 46.6°(0.11), 51.4°(0.34), 54.2°(0.08), 55.4°(0.14), 56.3°(0.06), 60.7°(0.06), 61.9°(0.06), 68.9°(0.07), 70.2°(0.09), 84.5°... | JVASP-179593 | 4.24 4.24 10.26
90 90 90
Ba 0.500 0.500 0.692
Sr 0.000 0.000 0.014
Sr 0.500 0.500 0.309
Pb -0.000 -0.000 0.484 |
Below is a description of a material. | The chemical formula is: Pb2BrO2.
The XRD pattern shows main peaks at: 13.5°(0.09), 23.2°(0.18), 30.3°(1.0), 31.5°(0.43), 41.4°(0.09), 42.1°(0.1), 45.2°(0.22), 52.9°(0.24), 54.1°(0.06), 55.3°(0.38), 62.9°(0.12), 65.8°(0.07), 68.6°(0.09), 74.1°(0.09), 74.8°(0.08), 80.8°(0.06), 89.3°(0.12).
Generate atomic structure desc... | JVASP-179808 | 7.14 7.14 7.14
147 147 46
Pb 0.843 0.843 0.000
Pb 0.157 0.157 0.000
Br 0.500 0.500 -0.000
O 0.250 0.750 0.500
O 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: ZrS3.
The XRD pattern shows main peaks at: 9.8°(0.68), 18.8°(0.35), 19.8°(0.12), 21.0°(0.35), 24.7°(0.13), 31.6°(1.0), 35.2°(0.12), 37.5°(0.15), 38.2°(0.07), 40.2°(0.07), 41.3°(0.22), 43.3°(0.18), 44.4°(0.21), 45.4°(0.15), 45.9°(0.15), 47.6°(0.08), 49.1°(0.08), 50.0°(0.17), 51.8°(0.07), 56.3°(0... | JVASP-368 | 5.17 3.65 9.05
90 96 90
Zr 0.717 0.250 0.845
Zr 0.283 0.750 0.155
S 0.122 0.250 0.332
S 0.878 0.750 0.668
S 0.762 0.750 0.054
S 0.238 0.250 0.946
S 0.476 0.750 0.672
S 0.524 0.250 0.328 |
Below is a description of a material. | The chemical formula is: Ba2PrCu3O7.
The XRD pattern shows main peaks at: 7.5°(0.06), 22.5°(0.09), 32.3°(1.0), 39.7°(0.14), 45.9°(0.14), 46.7°(0.15), 57.2°(0.21), 57.8°(0.18), 67.5°(0.09), 76.1°(0.07), 77.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-153473 | 3.89 3.96 11.80
90 90 90
Ba 0.500 0.500 0.180
Ba 0.500 0.500 0.820
Pr 0.500 0.500 0.500
Cu 0.000 0.000 0.000
Cu 0.000 0.000 0.346
Cu 0.000 0.000 0.654
O 0.000 0.500 0.000
O 0.000 0.000 0.159
O 0.000 0.000 0.841
O 0.000 0.500 0.369
O 0.000 0.500 0.631
O 0.500 0.000 0.370
O 0.500 0.000 0.630 |
Below is a description of a material. | The chemical formula is: K3Mo.
The XRD pattern shows main peaks at: 17.0°(0.18), 19.7°(0.07), 27.9°(1.0), 33.0°(0.08), 39.7°(0.08), 40.1°(0.16), 49.6°(0.32), 57.7°(0.1), 65.0°(0.06), 65.6°(0.12), 79.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39405 | 6.39 6.39 6.39
120 120 89
K 0.750 0.250 0.500
K 0.250 0.750 0.500
K 0.500 0.500 -0.000
Mo 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaLaSe2.
The XRD pattern shows main peaks at: 12.9°(0.31), 23.9°(0.18), 29.3°(1.0), 32.1°(0.07), 38.7°(0.07), 41.4°(0.37), 42.4°(0.35), 43.5°(0.1), 51.5°(0.2), 53.3°(0.06), 60.7°(0.11), 68.1°(0.17), 69.6°(0.16), 75.4°(0.06), 76.2°(0.12).
Generate atomic structure description with lattice length... | JVASP-116229 | 7.33 7.33 7.33
34 34 34
Na 0.000 0.000 0.000
La 0.500 0.500 0.500
Se 0.753 0.753 0.753
Se 0.247 0.247 0.247 |
Below is a description of a material. | The chemical formula is: Sr2ZnWO6.
The XRD pattern shows main peaks at: 19.2°(0.22), 22.2°(0.1), 31.6°(1.0), 37.3°(0.09), 45.4°(0.27), 56.4°(0.35), 66.1°(0.1), 75.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119769 | 5.65 5.67 9.79
54 90 90
Sr 0.022 0.754 0.249
Sr 0.478 0.754 0.749
Sr 0.978 0.246 0.751
Sr 0.522 0.246 0.251
Zn 0.000 -0.000 0.500
Zn 0.500 0.000 0.000
W 0.500 0.500 0.500
W 0.000 0.500 0.000
O 0.009 0.681 0.761
O 0.491 0.681 0.261
O 0.788 0.204 0.030
O 0.712 0.204 0.530
O 0.212 0.796 0.970
O 0.732 0.741 0.969
O 0.268 0... |
Below is a description of a material. | The chemical formula is: Sm3Ga.
The XRD pattern shows main peaks at: 18.6°(0.06), 26.5°(0.05), 32.6°(1.0), 37.8°(0.51), 54.5°(0.33), 65.0°(0.41), 68.3°(0.11), 80.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79615 | 4.76 4.76 4.76
90 90 90
Sm 0.000 0.500 0.500
Sm 0.500 0.500 0.000
Sm 0.500 0.000 0.500
Ga 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiErO2.
The XRD pattern shows main peaks at: 22.0°(1.0), 32.5°(0.18), 32.9°(0.2), 33.9°(0.72), 41.4°(0.37), 46.8°(0.11), 47.8°(0.21), 54.2°(0.21), 54.8°(0.15), 59.2°(0.05), 60.7°(0.18), 65.2°(0.09), 71.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-10720 | 6.10 6.11 6.19
90 118 90
Li 0.709 0.344 0.936
Li 0.291 0.844 0.564
Li 0.291 0.656 0.064
Li 0.709 0.156 0.436
Er 0.766 0.869 0.022
Er 0.766 0.631 0.522
Er 0.234 0.131 0.978
Er 0.234 0.369 0.478
O 0.013 0.672 0.344
O 0.546 0.608 0.738
O 0.987 0.172 0.156
O 0.987 0.328 0.656
O 0.454 0.392 0.262
O 0.454 0.108 0.762
O 0.546... |
Below is a description of a material. | The chemical formula is: La3Ti.
The XRD pattern shows main peaks at: 21.4°(0.16), 28.8°(0.22), 32.0°(0.23), 33.1°(1.0), 43.6°(0.14), 51.1°(0.18), 57.8°(0.2), 61.6°(0.21), 62.2°(0.13), 80.7°(0.07), 88.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109985 | 7.15 7.15 5.59
90 90 120
La 0.176 0.352 0.250
La 0.648 0.824 0.250
La 0.176 0.824 0.250
La 0.824 0.648 0.750
La 0.352 0.176 0.750
La 0.824 0.176 0.750
Ti 0.333 0.667 0.750
Ti 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: CeCo2Ge2.
The XRD pattern shows main peaks at: 31.1°(0.27), 34.9°(1.0), 36.1°(0.95), 44.6°(0.66), 48.4°(0.1), 51.1°(0.25), 57.9°(0.49), 65.0°(0.41), 75.9°(0.11), 76.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8459 | 4.06 4.06 5.74
110 110 90
Ce 0.000 0.000 0.000
Co 0.250 0.750 0.500
Co 0.750 0.250 0.500
Ge 0.632 0.632 0.263
Ge 0.368 0.368 0.737 |
Below is a description of a material. | The chemical formula is: La3Mg.
The XRD pattern shows main peaks at: 17.4°(0.2), 24.7°(0.18), 30.4°(1.0), 35.2°(0.56), 39.5°(0.11), 43.5°(0.08), 50.6°(0.39), 53.9°(0.05), 60.2°(0.45), 63.1°(0.12), 74.4°(0.06), 82.4°(0.18), 85.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-169452 | 5.10 5.10 5.10
90 90 90
La 0.500 0.500 0.000
La 0.500 0.000 0.500
La 0.000 0.500 0.500
Mg -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: LaThPb6.
The XRD pattern shows main peaks at: 31.4°(1.0), 36.4°(0.48), 52.4°(0.36), 62.4°(0.3), 65.5°(0.13), 85.8°(0.06), 88.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103708 | 4.93 4.93 9.89
90 90 90
La 0.000 0.000 0.000
Th 0.000 0.000 0.500
Pb 0.500 0.500 0.000
Pb 0.500 0.500 0.500
Pb 0.500 0.000 0.252
Pb 0.500 0.000 0.748
Pb 0.000 0.500 0.252
Pb 0.000 0.500 0.748 |
Below is a description of a material. | The chemical formula is: AsIr2Rh.
The XRD pattern shows main peaks at: 24.7°(0.16), 40.9°(1.0), 48.3°(0.08), 59.2°(0.17), 74.4°(0.37), 88.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75650 | 4.42 4.42 4.42
60 60 60
As 0.500 0.500 0.500
Ir 0.000 0.000 0.000
Ir 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: AlSiRu2.
The XRD pattern shows main peaks at: 30.1°(0.39), 43.1°(1.0), 53.5°(0.13), 62.8°(0.11), 71.2°(0.1), 79.1°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194272 | 2.96 2.96 5.95
90 90 90
Ru 0.000 0.000 0.012
Ru -0.000 -0.000 0.488
Si 0.500 0.500 0.250
Al 0.500 0.500 0.750 |
Below is a description of a material. | The chemical formula is: HCl.
The XRD pattern shows main peaks at: 8.4°(0.78), 11.9°(0.73), 14.6°(1.0), 16.9°(0.41), 18.9°(0.54), 20.6°(0.39), 23.9°(0.34), 25.5°(0.24), 26.9°(0.21), 28.2°(0.38), 29.4°(0.14), 30.6°(0.11), 31.9°(0.22), 35.2°(0.12), 37.3°(0.16), 38.4°(0.13), 39.4°(0.13), 42.2°(0.1), 43.8°(0.08), 51.5°(0.0... | JVASP-120210 | 7.41 7.41 10.58
90 90 90
H 0.000 0.000 0.939
Cl 0.000 0.000 0.061 |
Below is a description of a material. | The chemical formula is: GeIO2.
The XRD pattern shows main peaks at: 18.0°(0.09), 23.1°(0.08), 29.4°(1.0), 32.9°(0.72), 36.5°(0.19), 47.2°(0.25), 50.0°(0.31), 56.6°(0.37), 61.1°(0.18), 61.5°(0.19), 68.9°(0.08), 76.7°(0.08), 78.5°(0.11), 80.9°(0.17), 86.9°(0.05).
Generate atomic structure description with lattice length... | JVASP-184100 | 3.85 3.85 4.92
90 90 90
Ge 0.500 0.500 0.516
I -0.000 -0.000 0.009
O -0.000 -0.000 0.612
O 0.500 0.500 0.873 |
Below is a description of a material. | The chemical formula is: Li2ZrF6.
The XRD pattern shows main peaks at: 19.0°(0.29), 20.6°(0.97), 28.2°(1.0), 41.1°(0.66), 41.9°(0.14), 44.1°(0.24), 46.4°(0.26), 53.8°(0.43), 56.4°(0.11), 58.2°(0.11), 60.1°(0.24), 63.5°(0.1), 64.8°(0.18), 70.4°(0.11), 71.5°(0.08), 83.4°(0.09), 89.1°(0.09).
Generate atomic structure desc... | JVASP-20952 | 4.98 4.98 4.67
90 90 120
Li 0.667 0.333 0.500
Li 0.333 0.667 0.500
Zr 0.000 0.000 0.000
F 0.669 0.669 0.257
F 0.331 -0.000 0.257
F 0.331 0.331 0.743
F 0.000 0.669 0.743
F 0.669 0.000 0.743
F -0.000 0.331 0.257 |
Below is a description of a material. | The chemical formula is: LiHBr.
The XRD pattern shows main peaks at: 14.6°(0.67), 19.0°(1.0), 24.0°(0.8), 27.0°(0.4), 29.5°(0.14), 30.8°(0.45), 35.3°(0.35), 38.5°(0.16), 40.4°(0.23), 41.4°(0.2), 43.3°(0.21), 45.9°(0.29), 49.2°(0.25), 53.2°(0.3), 57.8°(0.07), 60.6°(0.08), 64.1°(0.18), 64.9°(0.11), 70.9°(0.09), 80.5°(0.1... | JVASP-120912 | 4.68 4.68 6.06
90 90 90
Li 0.000 0.000 -0.012
H 0.000 0.000 0.687
Br 0.000 0.000 0.372 |
Below is a description of a material. | The chemical formula is: HfCl2.
The XRD pattern shows main peaks at: 18.0°(1.0), 25.5°(0.14), 27.5°(0.37), 33.1°(0.32), 36.4°(0.35), 37.8°(0.07), 40.9°(0.25), 46.1°(0.18), 49.9°(0.17), 52.4°(0.1), 55.9°(0.05), 60.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116160 | 5.89 4.94 5.89
33 107 89
Hf 0.270 0.893 0.369
Cl 0.770 0.393 0.869
Cl 0.270 0.392 0.369 |
Below is a description of a material. | The chemical formula is: LiNbSe.
The XRD pattern shows main peaks at: 11.4°(1.0), 22.9°(0.22), 32.1°(0.81), 34.1°(0.26), 34.6°(0.32), 39.8°(0.2), 46.0°(0.3), 47.9°(0.51), 52.0°(0.09), 57.8°(0.06), 58.8°(0.26), 67.1°(0.09), 76.3°(0.13), 77.8°(0.11), 86.6°(0.19).
Generate atomic structure description with lattice lengths... | JVASP-120287 | 2.79 2.79 7.77
90 90 90
Li 0.000 0.000 0.323
Nb 0.000 0.000 0.675
Se 0.000 0.000 0.010 |
Below is a description of a material. | The chemical formula is: AlBiBr6.
The XRD pattern shows main peaks at: 12.3°(0.43), 13.2°(0.35), 15.0°(0.14), 18.3°(0.21), 19.6°(0.11), 24.4°(0.17), 24.9°(0.16), 27.8°(0.2), 29.1°(0.22), 29.6°(1.0), 30.2°(0.27), 32.0°(0.21), 33.1°(0.1), 35.2°(0.22), 36.0°(0.17), 37.4°(0.13), 43.1°(0.13), 46.9°(0.15), 48.8°(0.11), 49.3°... | JVASP-13155 | 7.77 7.59 9.71
102 103 100
Al 0.680 0.272 0.843
Al 0.320 0.728 0.157
Bi 0.803 0.481 0.291
Bi 0.197 0.519 0.709
Br 0.526 0.290 0.353
Br 0.474 0.710 0.647
Br 0.759 0.587 0.963
Br 0.241 0.413 0.037
Br 0.843 0.183 0.681
Br 0.157 0.817 0.319
Br 0.744 0.128 0.034
Br 0.256 0.872 0.966
Br 0.368 0.178 0.708
Br 0.632 0.822 0.292... |
Below is a description of a material. | The chemical formula is: Sr5Si3.
The XRD pattern shows main peaks at: 22.6°(0.08), 24.9°(0.18), 25.5°(0.31), 27.6°(0.2), 30.2°(1.0), 31.8°(0.69), 34.2°(0.15), 35.4°(0.4), 38.0°(0.08), 46.1°(0.1), 47.1°(0.21), 47.7°(0.2), 50.0°(0.37), 53.8°(0.24), 63.7°(0.13), 68.1°(0.1), 70.4°(0.05).
Generate atomic structure descripti... | JVASP-154131 | 9.71 9.71 9.71
131 131 71
Sr 0.823 0.323 0.859
Sr 0.464 0.964 0.141
Sr 0.323 0.464 0.500
Sr 0.964 0.823 0.500
Sr 0.538 0.038 0.859
Sr 0.179 0.679 0.141
Sr 0.038 0.179 0.500
Sr 0.679 0.538 0.500
Sr 0.001 0.001 0.000
Sr 0.501 0.501 0.000
Si 0.892 0.392 0.283
Si 0.109 0.609 0.717
Si 0.392 0.109 0.500
Si 0.609 0.892 0.500
... |
Below is a description of a material. | The chemical formula is: MnN.
The XRD pattern shows main peaks at: 36.5°(1.0), 42.5°(0.27), 61.6°(0.43), 73.8°(0.35), 77.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36314 | 3.01 3.01 3.01
60 60 60
Mn 0.000 0.000 0.000
N 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: BaRh2Br.
The XRD pattern shows main peaks at: 33.4°(0.27), 34.4°(1.0), 42.9°(0.27), 55.4°(0.23), 60.4°(0.19), 62.3°(0.09), 72.6°(0.1), 73.1°(0.21), 85.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65575 | 6.14 6.14 6.14
139 139 58
Ba 0.250 0.750 0.500
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.000
Br 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Sc4Ge6Rh7.
The XRD pattern shows main peaks at: 15.3°(0.07), 21.8°(0.33), 26.7°(0.07), 34.7°(0.06), 38.2°(1.0), 41.4°(0.39), 44.4°(0.67), 47.2°(0.17), 52.6°(0.26), 64.5°(0.31), 71.2°(0.08), 75.4°(0.07), 77.5°(0.22), 79.6°(0.17), 87.8°(0.05).
Generate atomic structure description with lattice le... | JVASP-159594 | 7.07 7.07 7.07
109 109 109
Sc -0.000 -0.000 0.500
Sc 0.500 0.000 0.000
Sc 0.000 0.500 -0.000
Sc 0.500 0.500 0.500
Ge 0.314 0.314 -0.000
Ge 0.000 0.686 0.686
Ge 0.686 -0.000 0.686
Ge 0.314 -0.000 0.314
Ge 0.000 0.314 0.314
Ge 0.686 0.686 -0.000
Rh 0.500 0.250 0.750
Rh 0.500 0.750 0.250
Rh 0.750 0.500 0.250
Rh 0.250 0.75... |
Below is a description of a material. | The chemical formula is: CaMnO2.
The XRD pattern shows main peaks at: 10.3°(0.14), 12.0°(1.0), 20.7°(0.45), 27.9°(0.15), 29.1°(0.41), 31.3°(0.57), 31.9°(0.74), 34.1°(0.29), 34.6°(0.7), 36.7°(0.33), 37.4°(0.2), 38.7°(0.14), 39.8°(0.18), 42.9°(0.3), 44.3°(0.12), 48.3°(0.2), 50.9°(0.11), 52.2°(0.36), 55.0°(0.3), 63.0°(0.1... | JVASP-9451 | 3.38 7.53 8.78
79 83 83
Ca 0.754 0.707 0.975
Ca 0.245 0.270 0.040
Ca 0.711 0.902 0.329
Ca 0.278 0.067 0.701
Mn 0.705 0.427 0.719
Mn 0.082 0.617 0.666
Mn 0.819 0.306 0.362
Mn 0.324 0.582 0.286
O 0.665 0.431 0.161
O 0.777 0.262 0.578
O 0.189 0.705 0.454
O 0.323 0.544 0.857
O 0.805 0.209 0.876
O 0.840 0.843 0.717
O 0.181 ... |
Below is a description of a material. | The chemical formula is: ZnH8C6O4.
The XRD pattern shows main peaks at: 8.9°(1.0), 17.8°(0.08), 22.0°(0.27), 25.2°(0.19), 25.6°(0.43), 28.6°(0.08), 29.5°(0.07), 45.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-112030 | 4.07 4.47 10.24
76 85 67
Zn 0.812 0.031 0.224
H 0.468 0.620 0.529
H -0.001 0.745 0.519
H 0.516 0.036 0.642
H 0.505 0.433 0.780
H 0.528 0.846 0.886
H 0.067 0.015 0.909
H 0.047 0.177 0.643
H 0.037 0.577 0.786
C 0.395 0.118 0.032
C 0.305 0.075 0.899
C 0.278 0.358 0.779
C 0.299 0.412 0.393
C 0.251 0.533 0.523
C 0.273 0.255... |
Below is a description of a material. | The chemical formula is: TaNb.
The XRD pattern shows main peaks at: 19.0°(0.1), 33.1°(0.06), 38.4°(1.0), 55.4°(0.14), 69.6°(0.22), 82.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188164 | 2.88 2.88 4.68
90 90 109
Nb -0.000 -0.000 0.000
Ta 0.500 0.500 0.500 |
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