instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: Zn3In2S6.
The XRD pattern shows main peaks at: 4.8°(0.09), 9.6°(0.06), 14.4°(0.15), 24.2°(0.59), 26.4°(0.21), 26.8°(0.42), 28.1°(1.0), 30.2°(0.22), 32.9°(0.33), 36.1°(0.15), 46.6°(0.71), 53.2°(0.37), 55.3°(0.16), 86.5°(0.1).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-29896 | 3.90 3.90 18.40
90 90 120
Zn 0.000 0.000 0.800
Zn 0.333 0.667 0.632
Zn 0.000 0.000 0.223
In 0.667 0.333 0.426
In 0.333 0.667 0.038
S 0.333 0.667 0.838
S 0.000 0.000 0.666
S 0.333 0.667 0.176
S 0.000 0.000 0.346
S 0.000 0.000 0.982
S 0.333 0.667 0.498 |
Below is a description of a material. | The chemical formula is: SrLa2Ti3O9.
The XRD pattern shows main peaks at: 22.6°(0.15), 32.1°(1.0), 39.6°(0.24), 46.0°(0.33), 57.2°(0.35), 67.2°(0.18), 85.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143797 | 5.58 5.58 6.82
90 90 120
Sr 0.000 0.000 0.000
La 0.667 0.333 0.331
La 0.333 0.667 0.669
Ti 0.000 0.000 0.500
Ti 0.667 0.333 0.835
Ti 0.333 0.667 0.165
O 0.663 0.831 0.338
O 0.337 0.169 0.662
O 0.000 0.500 0.000
O 0.831 0.663 0.662
O 0.500 0.000 0.000
O 0.169 0.337 0.338
O 0.831 0.169 0.662
O 0.500 0.500 0.000
O 0.169 0... |
Below is a description of a material. | The chemical formula is: Tb3Mg.
The XRD pattern shows main peaks at: 14.7°(0.06), 21.8°(0.24), 25.5°(0.1), 29.6°(0.26), 32.5°(0.26), 33.9°(1.0), 42.9°(0.06), 44.5°(0.16), 52.5°(0.21), 58.9°(0.23), 63.1°(0.24), 63.9°(0.17), 82.8°(0.08), 87.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-109601 | 6.98 6.98 5.50
90 90 120
Tb 0.170 0.340 0.250
Tb 0.660 0.830 0.250
Tb 0.170 0.830 0.250
Tb 0.830 0.170 0.750
Tb 0.340 0.170 0.750
Tb 0.830 0.660 0.750
Mg 0.667 0.333 0.250
Mg 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: TlAsRu.
The XRD pattern shows main peaks at: 24.4°(0.43), 28.3°(0.25), 40.4°(1.0), 47.8°(0.21), 50.0°(0.07), 58.5°(0.16), 64.3°(0.09), 66.2°(0.1), 73.5°(0.33), 78.8°(0.06), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75609 | 4.46 4.46 4.46
60 60 60
Tl 0.000 0.000 0.000
As 0.500 0.500 0.500
Ru 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ca2MgAl2Si3O12.
The XRD pattern shows main peaks at: 27.9°(0.16), 30.0°(1.0), 30.4°(0.26), 30.9°(0.44), 35.1°(0.51), 35.7°(0.25), 35.9°(0.24), 39.1°(0.15), 40.4°(0.08), 42.7°(0.2), 44.8°(0.29), 53.1°(0.11), 54.8°(0.08), 56.0°(0.1), 57.0°(0.15), 60.6°(0.11), 61.1°(0.09), 61.6°(0.09), 65.7°(0.1),... | JVASP-129768 | 5.32 6.54 6.56
84 78 77
Ca 0.252 0.691 0.300
Ca 0.756 0.304 0.689
Mg 0.743 0.909 0.090
Al 0.280 0.188 0.386
Al 0.246 0.090 0.913
Si 0.227 0.616 0.808
Si 0.721 0.809 0.621
Si 0.782 0.384 0.195
O 0.316 0.375 0.889
O 0.173 0.103 0.644
O 0.883 0.199 0.027
O 0.619 0.980 0.798
O 0.143 0.801 0.970
O 0.989 0.634 0.671
O 0.008 ... |
Below is a description of a material. | The chemical formula is: ZrBeNi4.
The XRD pattern shows main peaks at: 23.0°(0.33), 26.6°(0.19), 38.0°(0.18), 44.9°(1.0), 47.0°(0.49), 54.9°(0.07), 60.3°(0.07), 62.0°(0.06), 68.7°(0.06), 73.5°(0.28), 81.3°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-64949 | 4.73 4.73 4.73
60 60 60
Zr 0.750 0.750 0.750
Be 0.000 0.000 0.000
Ni 0.374 0.374 0.374
Ni 0.374 0.878 0.374
Ni 0.374 0.374 0.878
Ni 0.878 0.374 0.374 |
Below is a description of a material. | The chemical formula is: Th2PdAu.
The XRD pattern shows main peaks at: 34.4°(1.0), 49.5°(0.2), 61.7°(0.42), 72.6°(0.13), 82.9°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156865 | 5.21 5.21 5.21
60 60 60
Th 0.500 0.500 0.500
Th 0.000 0.000 0.000
Pd 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: OsPd3.
The XRD pattern shows main peaks at: 22.7°(0.07), 32.4°(0.06), 39.9°(1.0), 46.4°(0.47), 67.8°(0.32), 81.7°(0.36), 86.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126499 | 3.91 3.91 3.91
90 90 90
Os 0.500 0.000 0.000
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.500
Pd 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: InAgTe2.
The XRD pattern shows main peaks at: 29.4°(1.0), 29.8°(0.45), 42.3°(0.74), 52.4°(0.35), 61.0°(0.12), 61.8°(0.06), 69.2°(0.2), 69.9°(0.16), 77.0°(0.24), 77.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99582 | 4.30 4.30 6.00
90 90 90
In 0.500 0.500 0.500
Ag 0.000 0.000 0.000
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: Dy8Th.
The XRD pattern shows main peaks at: 3.5°(0.09), 29.3°(0.4), 29.9°(0.09), 32.4°(1.0), 34.1°(0.83), 51.5°(0.34), 62.2°(0.16), 63.3°(0.14), 84.9°(0.13), 85.9°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-131783 | 3.55 3.55 25.37
90 90 120
Dy 0.000 0.000 0.223
Dy 0.667 0.333 0.110
Dy 0.667 0.333 0.333
Dy 0.667 0.333 0.555
Dy 0.333 0.667 0.445
Dy 0.333 0.667 0.667
Dy 0.333 0.667 0.890
Dy 0.000 0.000 0.777
Th 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AuC2.
The XRD pattern shows main peaks at: 18.3°(1.0), 28.6°(0.52), 34.1°(0.47), 36.4°(0.51), 37.1°(0.25), 45.2°(0.21), 46.9°(0.5), 47.4°(0.25), 54.4°(0.27), 56.9°(0.06), 59.1°(0.07), 59.9°(0.11), 62.4°(0.09), 64.9°(0.09), 67.6°(0.16), 71.4°(0.14), 77.4°(0.1), 84.4°(0.07), 85.6°(0.06), 89.1°(0.... | JVASP-118926 | 5.02 3.13 2.55
90 75 90
Au 0.467 0.000 0.133
C -0.093 0.000 -0.087
C 0.026 0.000 0.354 |
Below is a description of a material. | The chemical formula is: Ga3Cu3SiSe8.
The XRD pattern shows main peaks at: 27.8°(1.0), 45.4°(0.25), 46.5°(0.44), 54.1°(0.3), 66.2°(0.08), 73.2°(0.05), 84.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146862 | 5.65 5.65 10.81
90 90 90
Ga 0.500 0.000 0.259
Ga 0.000 0.500 0.741
Ga 0.500 0.500 0.000
Cu 0.000 0.500 0.264
Cu 0.500 0.000 0.736
Cu 0.000 0.000 0.000
Si 0.000 0.000 0.500
Se 0.748 0.253 0.392
Se 0.252 0.756 0.870
Se 0.252 0.747 0.392
Se 0.748 0.244 0.870
Se 0.244 0.252 0.130
Se 0.747 0.748 0.608
Se 0.756 0.748 0.130
S... |
Below is a description of a material. | The chemical formula is: LuNiSb.
The XRD pattern shows main peaks at: 24.7°(0.13), 28.5°(0.47), 40.8°(1.0), 50.6°(0.14), 59.1°(0.17), 66.9°(0.19), 74.3°(0.34), 88.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1891 | 4.42 4.42 4.42
60 60 60
Lu 0.500 0.500 0.500
Ni 0.250 0.250 0.250
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4CrPb.
The XRD pattern shows main peaks at: 15.1°(0.13), 17.5°(0.09), 24.9°(0.23), 29.2°(1.0), 30.6°(0.43), 39.8°(0.05), 43.8°(0.11), 46.6°(0.39), 51.0°(0.33), 59.9°(0.13), 60.6°(0.18), 69.4°(0.06), 71.5°(0.24), 75.0°(0.05), 82.5°(0.07).
Generate atomic structure description with lattice leng... | JVASP-64383 | 7.16 7.16 7.16
60 60 60
Ba 0.123 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.123 0.626
Ba 0.626 0.626 0.123
Cr 0.250 0.250 0.250
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NbInRu2.
The XRD pattern shows main peaks at: 39.9°(1.0), 57.7°(0.16), 72.5°(0.31), 86.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79907 | 4.52 4.52 4.52
60 60 60
Nb 0.750 0.750 0.750
In 0.250 0.250 0.250
Ru 0.000 -0.000 -0.000
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbMg3.
The XRD pattern shows main peaks at: 21.3°(0.91), 24.7°(0.26), 30.3°(1.0), 32.9°(0.22), 35.0°(0.19), 37.4°(0.13), 41.4°(0.18), 43.5°(0.17), 48.9°(0.36), 53.9°(0.07), 57.0°(0.14), 58.7°(0.1), 59.9°(0.14), 72.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-38271 | 8.32 8.32 5.13
90 90 120
Rb 0.667 0.333 0.750
Rb 0.333 0.667 0.250
Mg 0.745 0.872 0.750
Mg 0.128 0.255 0.750
Mg 0.128 0.872 0.750
Mg 0.872 0.128 0.250
Mg 0.872 0.745 0.250
Mg 0.255 0.128 0.250 |
Below is a description of a material. | The chemical formula is: SbBrCl2.
The XRD pattern shows main peaks at: 12.5°(0.62), 26.3°(0.7), 32.8°(0.92), 34.4°(1.0), 35.2°(0.21), 38.2°(0.14), 45.0°(0.18), 47.0°(0.29), 48.9°(0.08), 51.2°(0.25), 54.7°(0.19), 57.3°(0.09), 59.5°(0.36), 62.1°(0.14), 67.2°(0.1), 68.7°(0.1), 70.9°(0.1), 78.3°(0.12), 79.1°(0.08), 89.5°(0... | JVASP-138281 | 3.86 3.86 7.08
90 90 90
Sb 0.500 0.500 0.452
Br 0.000 0.000 0.158
Cl 0.000 0.000 0.600
Cl 0.500 0.500 0.800 |
Below is a description of a material. | The chemical formula is: K2TiS3.
The XRD pattern shows main peaks at: 13.1°(0.85), 15.3°(0.22), 21.4°(0.12), 25.4°(0.59), 27.4°(0.32), 28.2°(1.0), 29.6°(0.91), 30.9°(0.17), 32.4°(0.19), 33.2°(0.55), 35.0°(0.31), 36.6°(0.49), 38.8°(0.37), 40.0°(0.28), 47.0°(0.28), 48.0°(0.19), 48.6°(0.15), 48.9°(0.13), 52.2°(0.26), 56.5... | JVASP-12949 | 6.52 7.14 7.14
71 87 87
K 0.720 0.176 0.508
K 0.220 0.508 0.176
K 0.780 0.492 0.824
K 0.280 0.824 0.492
Ti 0.750 0.915 0.085
Ti 0.250 0.085 0.915
S 0.250 0.352 0.648
S 0.750 0.648 0.352
S -0.000 0.876 0.845
S 0.500 0.155 0.124
S 0.500 0.845 0.876
S 0.000 0.124 0.155 |
Below is a description of a material. | The chemical formula is: Sr2FeSbO6.
The XRD pattern shows main peaks at: 19.2°(0.08), 31.7°(1.0), 45.3°(0.27), 45.7°(0.12), 56.1°(0.16), 56.5°(0.25), 66.3°(0.18), 75.1°(0.08), 75.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170408 | 5.64 5.64 5.64
60 89 120
Sr 0.250 0.996 0.754
Sr 0.750 0.004 0.246
Fe 0.500 0.500 0.000
Sb -0.000 0.500 0.500
O 0.783 0.499 0.220
O 0.281 0.998 0.220
O 0.217 0.501 0.780
O 0.719 0.002 0.780
O 0.751 0.560 0.689
O 0.249 0.440 0.311 |
Below is a description of a material. | The chemical formula is: EuZnGe.
The XRD pattern shows main peaks at: 24.5°(0.12), 32.8°(1.0), 43.0°(0.39), 43.9°(0.13), 55.2°(0.22), 63.2°(0.26), 72.4°(0.2), 73.7°(0.1), 78.9°(0.07), 89.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85140 | 4.20 4.20 4.12
90 90 120
Eu 1.000 1.000 0.000
Zn 0.333 0.667 0.500
Ge 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Co3Mo.
The XRD pattern shows main peaks at: 29.8°(0.07), 40.9°(0.24), 44.5°(0.25), 46.8°(1.0), 62.0°(0.13), 74.4°(0.15), 83.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92169 | 4.07 5.10 5.10
120 90 90
Co 0.750 0.162 0.324
Co 0.750 0.162 0.838
Co 0.750 0.676 0.838
Co 0.250 0.838 0.676
Co 0.250 0.838 0.162
Co 0.250 0.324 0.162
Mo 0.750 0.667 0.333
Mo 0.250 0.333 0.667 |
Below is a description of a material. | The chemical formula is: CaBe2Nb.
The XRD pattern shows main peaks at: 14.0°(0.55), 27.3°(1.0), 28.3°(0.52), 30.8°(0.22), 38.9°(0.53), 39.7°(1.0), 41.6°(0.15), 48.8°(0.44), 51.7°(0.09), 56.2°(0.16), 58.5°(0.07), 63.6°(0.18), 64.1°(0.18), 65.7°(0.21), 71.0°(0.32), 72.5°(0.13), 79.9°(0.05), 83.6°(0.06), 85.5°(0.08).
Gene... | JVASP-68780 | 3.27 3.27 6.31
90 90 90
Ca 0.500 0.500 0.000
Be 0.000 0.000 0.673
Be 0.000 0.000 0.327
Nb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AuI3.
The XRD pattern shows main peaks at: 10.0°(0.36), 23.1°(0.12), 24.2°(1.0), 24.9°(0.11), 25.6°(0.19), 26.2°(0.09), 30.2°(0.61), 31.4°(0.98), 37.7°(0.19), 40.0°(0.1), 40.8°(0.24), 44.2°(0.1), 46.4°(0.29), 47.3°(0.48), 48.0°(0.29), 49.5°(0.15), 51.0°(0.14), 63.2°(0.1), 65.6°(0.11), 70.9°(0.1... | JVASP-124453 | 4.32 4.32 8.87
88 88 117
Au 0.250 0.250 0.125
I 0.250 0.250 0.625
I 0.633 0.633 0.339
I 0.867 0.867 0.911 |
Below is a description of a material. | The chemical formula is: P.
The XRD pattern shows main peaks at: 27.3°(0.16), 34.9°(1.0), 47.8°(0.3), 52.4°(0.33), 55.9°(0.13), 60.1°(0.08), 64.5°(0.16), 73.6°(0.08), 74.8°(0.08), 87.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25047 | 3.84 3.84 3.84
54 54 54
P 0.226 0.226 0.226
P 0.774 0.774 0.774 |
Below is a description of a material. | The chemical formula is: ClO.
The XRD pattern shows main peaks at: 26.4°(1.0), 29.4°(0.19), 39.9°(0.16), 42.0°(0.52), 50.3°(0.54), 54.5°(0.09), 60.9°(0.14), 67.6°(0.19), 71.1°(0.16), 75.3°(0.05), 86.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-118110 | 3.04 3.04 3.37
90 90 90
Cl 0.000 0.000 0.000
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MnTlS2.
The XRD pattern shows main peaks at: 16.3°(0.5), 23.2°(1.0), 27.6°(0.19), 32.3°(0.43), 33.0°(0.5), 36.4°(0.89), 37.1°(0.33), 43.6°(0.44), 47.4°(0.12), 53.4°(0.28), 55.8°(0.29), 57.1°(0.08), 69.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-155490 | 6.31 6.31 6.31
105 105 118
Mn 0.750 0.250 0.500
Mn 0.250 0.750 0.500
Tl 0.250 0.250 0.000
Tl 0.750 0.750 -0.000
S 0.848 0.348 0.197
S 0.348 0.152 0.500
S 0.652 0.848 0.500
S 0.152 0.652 0.803 |
Below is a description of a material. | The chemical formula is: TaMnSiRu.
The XRD pattern shows main peaks at: 25.7°(0.49), 42.6°(1.0), 50.4°(0.24), 61.8°(0.16), 77.9°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189169 | 4.25 4.25 4.25
60 60 60
Ru 0.000 0.000 0.000
Si 0.250 0.250 0.250
Mn 0.500 0.500 0.500
Ta 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: La3Bi4Pt3.
The XRD pattern shows main peaks at: 21.2°(0.21), 27.5°(0.13), 32.6°(1.0), 39.3°(0.29), 43.2°(0.19), 45.0°(0.23), 48.6°(0.11), 56.7°(0.13), 61.3°(0.1), 65.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154916 | 8.89 8.89 8.89
109 109 109
La 0.875 0.125 0.250
La 0.250 0.875 0.125
La 0.750 0.625 0.375
La 0.125 0.250 0.875
La 0.375 0.750 0.625
La 0.625 0.375 0.750
Bi 0.500 0.173 0.000
Bi 0.827 0.827 0.827
Bi 0.173 -0.000 0.500
Bi 0.327 0.327 0.327
Bi 0.000 0.500 0.673
Bi 0.500 0.673 0.000
Bi 0.673 0.000 0.500
Bi 0.000 0.500 0.17... |
Below is a description of a material. | The chemical formula is: CuHgO2.
The XRD pattern shows main peaks at: 16.1°(0.65), 25.7°(0.15), 30.0°(0.84), 31.0°(0.6), 32.6°(0.47), 33.6°(1.0), 40.7°(0.7), 41.3°(0.19), 50.3°(0.28), 52.9°(0.16), 53.7°(0.34), 56.0°(0.11), 56.8°(0.31), 57.7°(0.12), 61.8°(0.12), 65.5°(0.19), 68.3°(0.19), 70.2°(0.14), 70.7°(0.12), 76.5°(... | JVASP-36764 | 3.00 3.78 5.70
82 74 66
Cu 0.500 -0.000 0.500
Hg -0.000 0.500 0.000
O 0.935 0.912 0.718
O 0.065 0.088 0.282 |
Below is a description of a material. | The chemical formula is: AcEr.
The XRD pattern shows main peaks at: 29.1°(1.0), 30.4°(0.29), 34.1°(0.68), 48.2°(0.26), 49.8°(0.23), 57.3°(0.15), 58.1°(0.3), 59.5°(0.14), 60.4°(0.14), 71.9°(0.08), 78.1°(0.13), 80.0°(0.06), 80.8°(0.12), 83.2°(0.11).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-156692 | 6.28 6.28 6.28
34 34 34
Ac 0.000 0.000 0.000
Er 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: PrB4.
The XRD pattern shows main peaks at: 21.4°(0.58), 24.5°(0.36), 27.4°(0.78), 32.7°(0.54), 35.0°(1.0), 39.2°(0.12), 41.3°(0.16), 43.6°(0.17), 45.1°(0.17), 50.6°(0.15), 51.8°(0.3), 52.3°(0.27), 53.4°(0.12), 56.7°(0.35), 58.2°(0.16), 70.0°(0.25), 71.4°(0.12), 74.5°(0.11), 76.3°(0.07), 80.4°(0... | JVASP-21799 | 7.27 7.27 4.15
90 90 90
Pr 0.183 0.683 0.000
Pr 0.683 0.817 0.000
Pr 0.317 0.183 0.000
Pr 0.817 0.317 0.000
B 0.174 0.961 0.500
B 0.039 0.174 0.500
B 0.412 0.912 0.500
B 0.912 0.588 0.500
B 0.088 0.412 0.500
B 0.588 0.088 0.500
B 0.500 0.500 0.205
B 0.500 0.500 0.795
B 0.826 0.039 0.500
B 0.000 0.000 0.205
B 0.461 0.67... |
Below is a description of a material. | The chemical formula is: Pd2Cl2O.
The XRD pattern shows main peaks at: 16.5°(1.0), 27.8°(0.11), 32.5°(0.44), 33.4°(0.73), 36.7°(0.1), 39.7°(0.08), 41.9°(0.43), 48.6°(0.11), 55.2°(0.22), 57.4°(0.14), 64.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12897 | 6.42 6.42 6.68
118 118 90
Pd -0.000 0.500 0.000
Pd -0.000 -0.000 0.500
Pd 0.500 -0.000 0.500
Pd 0.000 0.000 0.000
Cl 0.574 0.824 0.147
Cl 0.824 0.574 0.647
Cl 0.176 0.426 0.353
Cl 0.426 0.176 0.853
O 0.875 0.125 0.750
O 0.125 0.875 0.250 |
Below is a description of a material. | The chemical formula is: ErFeGe2.
The XRD pattern shows main peaks at: 23.8°(0.09), 27.1°(0.05), 31.0°(0.17), 32.3°(0.05), 34.7°(1.0), 39.0°(0.24), 41.1°(0.05), 43.3°(0.2), 44.2°(0.2), 48.9°(0.08), 54.5°(0.11), 56.6°(0.13), 60.4°(0.13), 63.6°(0.14), 68.1°(0.06), 72.0°(0.09), 73.8°(0.09), 75.2°(0.11).
Generate atomic st... | JVASP-90734 | 4.18 4.10 8.56
103 90 90
Er 0.750 0.110 0.220
Er 0.250 0.890 0.780
Fe 0.750 0.320 0.640
Fe 0.250 0.680 0.360
Ge 0.750 0.455 0.911
Ge 0.250 0.545 0.089
Ge 0.750 0.749 0.497
Ge 0.250 0.251 0.503 |
Below is a description of a material. | The chemical formula is: Be4FeGe.
The XRD pattern shows main peaks at: 25.7°(0.91), 42.7°(1.0), 50.5°(0.78), 61.9°(0.1), 68.2°(0.06), 78.1°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103120 | 4.24 4.24 4.24
59 59 60
Be 0.624 0.624 0.129
Be 0.624 0.129 0.624
Be 0.129 0.624 0.624
Be 0.624 0.624 0.624
Fe 0.250 0.250 0.250
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaCaVO4.
The XRD pattern shows main peaks at: 17.7°(0.29), 22.8°(0.15), 25.0°(0.42), 30.1°(0.61), 30.8°(1.0), 32.5°(0.81), 35.8°(0.31), 41.4°(0.24), 44.2°(0.26), 46.6°(0.13), 50.7°(0.12), 51.2°(0.19), 53.8°(0.11), 55.0°(0.19), 56.4°(0.36), 60.6°(0.09), 61.3°(0.1), 62.0°(0.22), 62.5°(0.13), 78.5... | JVASP-142055 | 5.53 5.53 7.13
90 90 114
Na 0.500 0.500 0.500
Na 0.500 0.500 0.000
Ca 0.819 0.181 0.750
Ca 0.181 0.819 0.250
V 0.145 0.855 0.750
V 0.855 0.145 0.250
O 0.259 0.200 0.750
O 0.253 0.747 0.554
O 0.800 0.741 0.750
O 0.747 0.253 0.054
O 0.200 0.259 0.250
O 0.253 0.747 0.946
O 0.747 0.253 0.446
O 0.741 0.800 0.250 |
Below is a description of a material. | The chemical formula is: Be2VSn.
The XRD pattern shows main peaks at: 16.5°(0.26), 27.5°(1.0), 32.3°(0.33), 33.4°(0.35), 39.3°(0.51), 42.9°(0.11), 43.8°(0.76), 52.6°(0.35), 56.9°(0.18), 64.3°(0.2), 66.3°(0.05), 66.9°(0.1), 67.6°(0.18), 74.5°(0.31), 77.0°(0.14), 83.6°(0.11), 84.7°(0.06).
Generate atomic structure descri... | JVASP-71313 | 3.24 3.24 5.36
90 90 90
Be 0.000 0.000 0.689
Be 0.000 0.000 0.311
V 0.500 0.500 0.500
Sn 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: HfBeCo.
The XRD pattern shows main peaks at: 27.1°(0.62), 39.0°(1.0), 47.9°(0.35), 56.1°(0.11), 56.8°(0.07), 63.4°(0.22), 64.0°(0.11), 76.7°(0.07), 77.4°(0.17), 83.3°(0.22), 83.8°(0.06), 89.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67433 | 3.80 3.80 3.24
90 90 119
Hf 0.667 0.333 0.333
Be 0.000 0.000 0.833
Co 0.333 0.667 0.833 |
Below is a description of a material. | The chemical formula is: CdAs2.
The XRD pattern shows main peaks at: 15.5°(0.17), 22.0°(0.21), 31.0°(1.0), 40.9°(0.12), 44.0°(0.14), 44.7°(0.25), 47.8°(0.06), 50.6°(0.12), 52.4°(0.2), 59.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1207 | 4.78 6.19 6.19
81 67 67
Cd 0.250 0.500 0.500
Cd 0.000 0.000 0.000
As 0.684 0.191 0.691
As 0.625 0.809 0.691
As 0.566 0.809 0.309
As 0.125 0.191 0.309 |
Below is a description of a material. | The chemical formula is: RbKr.
The XRD pattern shows main peaks at: 21.7°(0.23), 22.7°(0.27), 24.5°(1.0), 31.6°(0.18), 38.1°(0.19), 41.0°(0.24), 44.8°(0.24), 45.8°(0.18), 57.1°(0.08), 61.0°(0.15), 61.4°(0.09), 63.5°(0.06), 70.7°(0.09), 73.5°(0.05), 86.6°(0.06).
Generate atomic structure description with lattice lengths... | JVASP-126836 | 4.73 4.73 7.84
90 90 120
Rb 0.667 0.333 0.750
Kr 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: CdS.
The XRD pattern shows main peaks at: 28.2°(0.59), 32.6°(1.0), 46.8°(0.72), 55.5°(0.26), 58.2°(0.23), 68.4°(0.11), 75.5°(0.11), 77.8°(0.28), 87.0°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102912 | 3.88 3.88 5.49
90 90 90
Cd 0.250 0.500 0.500
Cd 0.750 0.000 0.000
S 0.250 0.500 0.000
S 0.750 0.000 0.500 |
Below is a description of a material. | The chemical formula is: NdFe4Cu3O12.
The XRD pattern shows main peaks at: 17.3°(0.11), 35.0°(1.0), 39.2°(0.08), 43.2°(0.06), 50.3°(0.27), 62.7°(0.5), 73.8°(0.12), 84.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122055 | 6.29 6.29 6.29
109 109 109
Nd 0.000 0.000 0.000
Fe 0.000 0.000 0.500
Fe 0.500 0.000 -0.000
Fe 0.000 0.500 0.000
Fe 0.500 0.500 0.500
Cu 0.500 0.000 0.500
Cu 0.000 0.500 0.500
Cu 0.500 0.500 0.000
O 0.303 0.820 0.124
O 0.697 0.180 0.876
O 0.483 0.303 0.180
O 0.517 0.697 0.820
O 0.124 0.303 0.820
O 0.820 0.124 0.303
O 0.... |
Below is a description of a material. | The chemical formula is: ScCuGe.
The XRD pattern shows main peaks at: 22.4°(0.16), 27.2°(0.21), 35.6°(0.63), 39.0°(1.0), 42.1°(0.4), 45.8°(0.36), 48.2°(0.71), 64.0°(0.21), 68.6°(0.19), 77.1°(0.33), 80.1°(0.12), 86.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-89898 | 3.96 6.55 6.55
120 90 90
Sc 0.000 0.574 0.000
Sc 0.000 0.426 0.426
Sc 0.000 0.000 0.574
Cu 0.500 0.245 0.000
Cu 0.500 0.755 0.755
Cu 0.500 0.000 0.245
Ge 0.500 0.667 0.333
Ge 0.500 0.333 0.667
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfZrS6.
The XRD pattern shows main peaks at: 9.9°(1.0), 17.4°(0.12), 18.9°(0.44), 19.8°(0.17), 21.1°(0.41), 24.8°(0.19), 26.5°(0.14), 30.2°(0.15), 31.2°(0.11), 31.7°(0.77), 35.2°(0.19), 37.7°(0.15), 41.4°(0.25), 43.5°(0.19), 44.6°(0.21), 45.6°(0.18), 46.1°(0.19), 47.7°(0.1), 49.2°(0.09), 50.3°(... | JVASP-110242 | 3.63 5.15 9.03
82 90 90
Hf 0.500 0.716 0.655
Zr 0.000 0.283 0.345
S 0.500 0.528 0.171
S 0.000 0.472 0.827
S 0.500 0.122 0.167
S 0.000 0.880 0.831
S 0.500 0.237 0.556
S 0.000 0.761 0.448 |
Below is a description of a material. | The chemical formula is: MnPO4.
The XRD pattern shows main peaks at: 20.9°(0.18), 26.2°(1.0), 36.7°(0.12), 38.2°(0.17), 40.1°(0.08), 42.6°(0.12), 54.0°(0.11), 68.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146600 | 4.90 4.90 11.33
90 89 120
Mn -0.000 0.433 0.667
Mn 0.567 0.567 0.000
Mn 0.433 -0.000 0.333
P 0.000 0.411 0.167
P 0.589 0.589 0.500
P 0.411 -0.000 0.833
O 0.908 0.548 0.060
O 0.911 0.631 0.537
O 0.370 0.280 0.871
O 0.452 0.361 0.394
O 0.630 0.911 0.463
O 0.280 0.370 0.130
O 0.361 0.452 0.606
O 0.639 0.092 0.727
O 0.089 ... |
Below is a description of a material. | The chemical formula is: Tb2C3.
The XRD pattern shows main peaks at: 26.4°(0.5), 30.6°(0.95), 34.3°(1.0), 40.8°(0.09), 56.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-58351 | 7.17 7.17 7.17
109 109 109
Tb 0.102 0.102 0.102
Tb -0.000 0.898 0.500
Tb 0.500 0.000 0.898
Tb -0.000 0.398 0.500
Tb 0.500 0.000 0.398
Tb 0.398 0.500 0.000
Tb 0.602 0.602 0.602
Tb 0.898 0.500 0.000
C 0.795 0.045 0.750
C 0.045 0.750 0.795
C 0.750 0.795 0.045
C 0.705 0.455 0.250
C 0.250 0.705 0.455
C 0.955 0.205 0.750
C 0... |
Below is a description of a material. | The chemical formula is: Na3H5C4O8.
The XRD pattern shows main peaks at: 11.6°(0.79), 12.8°(0.27), 21.6°(0.14), 23.4°(0.13), 30.2°(0.52), 31.4°(1.0), 31.8°(0.2), 32.5°(0.11), 34.3°(0.13), 35.4°(0.36), 37.2°(0.14), 38.7°(0.14), 39.6°(0.14), 41.8°(0.13), 44.0°(0.13), 45.8°(0.15), 47.9°(0.11), 51.4°(0.1), 54.0°(0.26), 61.... | JVASP-155081 | 3.42 8.31 8.40
113 99 85
Na 0.000 0.000 0.000
Na 0.278 0.832 0.533
Na 0.722 0.168 0.467
H 0.500 0.500 0.500
H 0.087 0.616 0.845
H 0.913 0.384 0.155
H 0.498 0.639 0.142
H 0.502 0.361 0.858
C 0.892 0.625 0.730
C 0.588 0.778 0.185
C 0.108 0.375 0.270
C 0.412 0.222 0.815
O 0.706 0.861 0.348
O 0.869 0.766 0.707
O 0.131 0.23... |
Below is a description of a material. | The chemical formula is: K2SnTe5.
The XRD pattern shows main peaks at: 14.8°(0.36), 24.1°(0.42), 29.2°(0.41), 29.8°(0.39), 31.2°(1.0), 40.9°(0.25), 44.4°(0.08), 45.3°(0.15), 46.8°(0.11), 47.5°(0.21), 56.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163394 | 8.49 8.49 9.82
115 115 90
K 0.496 0.496 0.992
K 0.996 0.996 0.992
K 0.746 0.746 0.492
K 0.246 0.246 0.492
Sn 0.246 0.746 0.492
Sn 0.746 0.246 0.492
Te 0.674 0.545 0.719
Te 0.545 0.045 0.719
Te 0.496 0.996 0.992
Te 0.996 0.496 0.992
Te 0.045 0.174 0.719
Te 0.174 0.674 0.719
Te 0.817 0.317 0.264
Te 0.947 0.817 0.264
Te 0... |
Below is a description of a material. | The chemical formula is: Nb3B4W3.
The XRD pattern shows main peaks at: 14.4°(0.15), 27.6°(0.38), 29.0°(0.13), 32.4°(0.51), 32.6°(0.64), 34.5°(0.42), 40.5°(1.0), 41.2°(0.18), 43.2°(0.74), 46.5°(0.25), 46.8°(0.25), 57.0°(0.22), 61.9°(0.15), 62.3°(0.12), 67.3°(0.27), 69.1°(0.21), 69.4°(0.17), 70.8°(0.2), 71.5°(0.19), 76.7... | JVASP-106343 | 6.16 6.16 3.23
90 90 90
Nb 0.498 1.000 0.000
Nb 0.000 0.502 0.000
Nb 0.825 0.175 0.500
B 0.391 0.609 0.000
B 0.605 0.395 0.000
B 0.113 0.108 0.000
B 0.892 0.887 0.000
W 0.177 0.823 0.500
W 0.672 0.674 0.500
W 0.326 0.328 0.500 |
Below is a description of a material. | The chemical formula is: NbGaPt.
The XRD pattern shows main peaks at: 25.1°(0.46), 29.0°(0.28), 41.5°(1.0), 49.1°(0.22), 51.5°(0.08), 60.2°(0.17), 68.2°(0.05), 75.8°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40784 | 4.35 4.35 4.35
60 60 60
Nb 0.250 0.250 0.250
Ga 0.500 0.500 0.500
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Er4Ga12Pd.
The XRD pattern shows main peaks at: 20.7°(0.09), 29.4°(0.37), 36.3°(1.0), 42.1°(0.67), 61.1°(0.4), 69.3°(0.11), 73.2°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121463 | 7.43 7.43 7.43
109 109 109
Er 0.000 0.000 0.500
Er -0.000 0.500 -0.000
Er 0.500 0.000 -0.000
Er 0.500 0.500 0.500
Ga 0.703 0.000 0.703
Ga 0.297 0.297 -0.000
Ga -0.000 0.297 0.297
Ga 0.297 -0.000 0.297
Ga 0.703 0.703 0.000
Ga 0.250 0.750 0.500
Ga 0.000 0.703 0.703
Ga 0.250 0.500 0.750
Ga 0.500 0.250 0.750
Ga 0.750 0.500... |
Below is a description of a material. | The chemical formula is: BaCu2P4.
The XRD pattern shows main peaks at: 19.5°(0.12), 23.0°(0.58), 29.7°(1.0), 31.0°(0.19), 33.0°(0.21), 33.8°(0.81), 34.7°(0.3), 37.0°(0.3), 37.6°(0.07), 38.8°(0.36), 49.3°(0.18), 50.9°(0.14), 52.1°(0.15), 52.6°(0.22), 53.0°(0.12), 53.8°(0.45), 58.8°(0.13), 63.7°(0.13), 67.3°(0.09), 85.4°... | JVASP-86716 | 5.51 5.86 9.95
82 73 61
Ba 0.125 0.750 0.750
Ba 0.875 0.250 0.250
Cu 0.253 0.250 0.494
Cu 0.747 0.750 0.506
Cu 0.497 0.250 0.006
Cu 0.503 0.750 0.994
P 0.828 0.370 0.859
P 0.313 0.130 0.859
P 0.443 0.870 0.359
P 0.557 0.130 0.641
P 0.198 0.630 0.359
P 0.687 0.870 0.141
P 0.802 0.370 0.641
P 0.172 0.630 0.141 |
Below is a description of a material. | The chemical formula is: HoMn2Ge2.
The XRD pattern shows main peaks at: 16.4°(0.07), 32.3°(0.33), 33.2°(0.06), 33.8°(1.0), 36.5°(0.92), 46.4°(0.53), 48.1°(0.46), 58.6°(0.41), 61.4°(0.15), 67.7°(0.16), 69.0°(0.31), 69.6°(0.08), 87.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-15616 | 3.92 3.92 6.07
108 108 90
Ho 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Mn 0.750 0.250 0.500
Ge 0.619 0.619 0.238
Ge 0.381 0.381 0.762 |
Below is a description of a material. | The chemical formula is: HfBeFe.
The XRD pattern shows main peaks at: 27.1°(0.68), 27.7°(0.11), 39.1°(1.0), 47.9°(0.35), 56.2°(0.11), 57.2°(0.07), 63.5°(0.25), 64.4°(0.12), 76.6°(0.07), 77.7°(0.16), 83.3°(0.21), 84.1°(0.06), 89.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-182605 | 3.80 3.80 3.22
90 90 120
Hf -0.000 0.000 -0.000
Be 0.333 0.667 0.500
Fe 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: BeTl2Ge.
The XRD pattern shows main peaks at: 10.6°(0.27), 21.3°(0.09), 28.8°(1.0), 32.2°(0.36), 34.4°(0.84), 38.1°(0.5), 44.1°(0.05), 50.7°(0.4), 51.7°(0.16), 55.0°(0.16), 62.2°(0.16), 63.2°(0.22), 65.2°(0.18), 66.5°(0.24), 78.8°(0.09), 81.5°(0.06), 87.7°(0.14).
Generate atomic structure descr... | JVASP-71328 | 3.34 3.34 8.34
90 90 90
Be 0.000 0.000 0.592
Tl 0.000 0.000 0.954
Tl 0.500 0.500 0.292
Ge 0.500 0.500 0.662 |
Below is a description of a material. | The chemical formula is: Ba4MgTa.
The XRD pattern shows main peaks at: 15.4°(0.24), 17.8°(0.1), 25.2°(0.18), 29.7°(1.0), 31.0°(0.53), 36.0°(0.09), 39.3°(0.07), 40.4°(0.06), 44.4°(0.08), 47.3°(0.39), 51.8°(0.32), 54.3°(0.05), 60.8°(0.14), 61.6°(0.22), 72.7°(0.24), 76.3°(0.05), 83.9°(0.08).
Generate atomic structure desc... | JVASP-64347 | 7.06 7.06 7.06
60 60 60
Ba 0.123 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.123 0.626
Ba 0.626 0.626 0.123
Mg 0.250 0.250 0.250
Ta 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeCdRe2.
The XRD pattern shows main peaks at: 24.9°(0.38), 28.9°(0.06), 41.3°(1.0), 48.8°(0.2), 59.8°(0.17), 65.8°(0.08), 75.2°(0.34), 80.7°(0.06), 89.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67713 | 4.38 4.38 4.38
120 120 89
Be 0.500 0.500 0.000
Cd 0.750 0.250 0.500
Re 0.000 0.000 0.000
Re 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Li2Mn3GaO8.
The XRD pattern shows main peaks at: 18.4°(0.25), 18.9°(1.0), 36.0°(0.17), 36.5°(0.35), 38.4°(0.11), 44.3°(0.69), 63.7°(0.19), 65.1°(0.19), 82.2°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-112809 | 5.84 5.84 5.84
58 58 58
Li 0.123 0.123 0.123
Li 0.877 0.877 0.877
Mn 0.500 0.000 0.500
Mn 0.500 0.500 0.000
Mn 0.000 0.500 0.500
Ga 0.500 0.500 0.500
O 0.263 0.263 0.263
O 0.714 0.257 0.257
O 0.257 0.714 0.257
O 0.257 0.257 0.714
O 0.743 0.286 0.743
O 0.743 0.743 0.286
O 0.286 0.743 0.743
O 0.737 0.737 0.737 |
Below is a description of a material. | The chemical formula is: RbMg6C.
The XRD pattern shows main peaks at: 12.2°(0.58), 20.5°(0.85), 21.6°(0.28), 23.4°(0.22), 24.6°(0.59), 29.5°(1.0), 31.3°(0.49), 32.0°(0.24), 33.1°(0.3), 33.9°(0.52), 35.8°(0.57), 36.6°(0.75), 37.2°(0.31), 43.1°(0.23), 44.4°(0.16), 46.4°(0.33), 50.3°(0.46), 51.3°(0.2), 52.6°(0.15), 55.1°(... | JVASP-91962 | 8.66 8.24 3.34
90 90 118
Rb 0.079 0.289 0.250
Mg 0.626 0.373 0.250
Mg 0.626 0.753 0.250
Mg 0.322 0.071 0.750
Mg 0.322 0.751 0.750
Mg 0.643 0.072 0.750
Mg 0.930 0.715 0.750
C 0.452 0.976 0.250 |
Below is a description of a material. | The chemical formula is: BePtPb2.
The XRD pattern shows main peaks at: 18.8°(0.23), 23.4°(0.09), 26.7°(0.13), 30.2°(0.14), 35.8°(1.0), 38.1°(0.44), 42.8°(0.06), 45.2°(0.07), 47.8°(0.12), 49.3°(0.08), 54.9°(0.14), 62.7°(0.22), 67.3°(0.35), 75.8°(0.12), 81.1°(0.1).
Generate atomic structure description with lattice lengt... | JVASP-74658 | 4.73 4.73 3.80
90 90 90
Be 0.000 0.000 0.500
Pt 0.500 0.500 0.500
Pb 0.500 0.000 0.000
Pb 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li2AgF3.
The XRD pattern shows main peaks at: 10.8°(1.0), 21.8°(0.2), 32.9°(0.06), 35.4°(0.26), 37.1°(0.38), 41.9°(0.64), 44.3°(0.09), 49.1°(0.18), 58.0°(0.15), 63.5°(0.11), 64.7°(0.06), 68.0°(0.06), 79.1°(0.08), 80.7°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-49814 | 2.93 2.93 8.17
90 90 120
Li 0.333 0.667 0.141
Li 0.667 0.333 0.859
Ag 0.000 0.000 0.500
F 0.333 0.667 0.725
F 0.667 0.333 0.275
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiBIr.
The XRD pattern shows main peaks at: 19.3°(1.0), 30.9°(0.46), 33.6°(0.26), 34.1°(0.28), 35.0°(0.53), 39.0°(0.18), 41.7°(0.26), 46.1°(0.12), 49.7°(0.4), 52.7°(0.21), 60.0°(0.06), 68.0°(0.09), 70.9°(0.06), 73.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-86409 | 5.56 5.56 6.09
106 106 112
Li 0.500 0.500 0.000
Li 0.500 0.000 0.500
Li 0.500 0.500 0.500
Li 0.000 0.500 0.000
B 0.948 0.052 0.750
B 0.698 0.302 0.250
B 0.302 0.698 0.750
B 0.052 0.948 0.250
Ir 0.259 0.009 0.017
Ir 0.741 0.991 0.983
Ir 0.009 0.259 0.517
Ir 0.991 0.741 0.483 |
Below is a description of a material. | The chemical formula is: La2Co3.
The XRD pattern shows main peaks at: 23.5°(0.17), 31.1°(0.6), 34.2°(1.0), 34.9°(0.17), 36.9°(0.16), 37.3°(0.1), 39.5°(0.58), 43.1°(0.39), 44.5°(0.28), 52.3°(0.11), 54.1°(0.21), 55.5°(0.07), 59.1°(0.09), 63.5°(0.08), 64.4°(0.12), 65.3°(0.15), 67.0°(0.14), 70.0°(0.07), 73.2°(0.1), 79.8°(0... | JVASP-151684 | 5.68 5.68 7.63
90 90 129
La 0.849 0.151 0.589
La 0.651 0.349 0.089
La 0.349 0.651 0.911
La 0.151 0.849 0.411
Co 0.000 0.000 0.000
Co 0.500 0.500 0.500
Co 0.342 0.158 0.750
Co 0.158 0.342 0.250
Co 0.658 0.842 0.250
Co 0.842 0.658 0.750 |
Below is a description of a material. | The chemical formula is: Sc2BeTc.
The XRD pattern shows main peaks at: 24.1°(0.56), 39.8°(1.0), 47.1°(0.26), 57.6°(0.15), 63.3°(0.12), 72.3°(0.29), 77.4°(0.08), 85.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74622 | 4.53 4.53 4.53
119 119 90
Sc 0.000 0.000 0.000
Sc 0.500 0.500 0.000
Be 0.750 0.250 0.500
Tc 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Tc3As.
The XRD pattern shows main peaks at: 41.0°(1.0), 43.0°(0.43), 56.1°(0.09), 62.5°(0.14), 73.2°(0.16), 77.5°(0.29), 88.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188238 | 2.97 2.97 6.55
90 90 90
As 0.000 0.000 0.000
Tc 0.500 0.500 0.238
Tc 0.000 0.000 0.500
Tc 0.500 0.500 0.762 |
Below is a description of a material. | The chemical formula is: Cd2Pd.
The XRD pattern shows main peaks at: 37.4°(1.0), 39.5°(0.44), 50.6°(0.11), 57.3°(0.08), 66.1°(0.18), 70.3°(0.21), 79.9°(0.06), 86.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184800 | 3.22 3.61 5.41
109 107 90
Cd 0.657 0.657 0.313
Cd 0.343 0.343 0.687
Pd -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: TiBe2Cr.
The XRD pattern shows main peaks at: 12.6°(1.0), 25.4°(0.16), 38.1°(0.95), 38.5°(0.33), 44.4°(0.96), 51.5°(0.36), 52.2°(0.07), 53.3°(0.1), 58.3°(0.06), 64.9°(0.12), 66.1°(0.22), 75.8°(0.1), 76.4°(0.08), 78.1°(0.15), 88.2°(0.13).
Generate atomic structure description with lattice length... | JVASP-67120 | 2.51 2.51 7.01
90 90 90
Ti 0.500 0.500 0.776
Be 0.000 0.000 0.046
Be 0.500 0.500 0.222
Cr 0.000 0.000 0.456 |
Below is a description of a material. | The chemical formula is: Sb2S3.
The XRD pattern shows main peaks at: 15.4°(0.29), 17.4°(0.45), 22.2°(0.28), 24.2°(0.22), 24.6°(0.67), 25.1°(0.61), 25.5°(0.24), 28.3°(0.21), 29.0°(1.0), 32.1°(0.95), 33.3°(0.4), 34.2°(0.22), 35.2°(0.42), 36.7°(0.18), 39.0°(0.23), 39.9°(0.38), 42.8°(0.2), 46.7°(0.68), 52.4°(0.19), 59.8°(0... | JVASP-19010 | 3.89 11.20 11.47
90 90 90
Sb 0.750 0.465 0.850
Sb 0.250 0.535 0.150
Sb 0.250 0.965 0.650
Sb 0.750 0.035 0.350
Sb 0.250 0.173 0.974
Sb 0.750 0.827 0.026
Sb 0.750 0.673 0.526
Sb 0.250 0.327 0.474
S 0.750 0.808 0.708
S 0.250 0.192 0.292
S 0.750 0.125 0.550
S 0.250 0.875 0.450
S 0.250 0.625 0.950
S 0.250 0.941 0.124
S 0.75... |
Below is a description of a material. | The chemical formula is: Sc4MnSi7.
The XRD pattern shows main peaks at: 6.2°(0.2), 12.5°(0.09), 38.9°(1.0), 47.3°(0.15), 49.8°(0.13), 71.0°(0.08), 82.2°(0.1), 86.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137676 | 3.67 3.85 14.18
90 90 90
Sc 0.000 0.000 0.114
Sc 0.000 0.500 0.596
Sc 0.500 0.500 0.414
Sc 0.500 0.000 0.899
Mn 0.000 0.000 0.405
Si 0.000 0.500 0.269
Si 0.000 0.000 0.741
Si 0.500 0.000 0.270
Si 0.500 0.500 0.751
Si 0.000 0.500 0.947
Si 0.500 0.500 0.055
Si 0.500 0.000 0.540 |
Below is a description of a material. | The chemical formula is: SrCa3Pb2O8.
The XRD pattern shows main peaks at: 17.4°(0.93), 17.9°(0.25), 30.0°(0.24), 30.9°(0.59), 31.3°(1.0), 35.1°(0.1), 36.2°(0.12), 40.0°(0.12), 41.1°(0.09), 44.2°(0.41), 45.0°(0.15), 46.7°(0.06), 53.2°(0.13), 54.1°(0.17), 55.0°(0.12), 55.6°(0.25), 56.4°(0.1), 60.7°(0.07), 62.3°(0.07), 62... | JVASP-137671 | 3.44 5.95 9.93
89 90 90
Sr 0.500 0.426 0.181
Ca 0.500 0.576 0.813
Ca 0.500 0.930 0.327
Ca 0.500 0.076 0.685
Pb 0.000 0.503 0.505
Pb 0.000 0.997 0.996
O 0.500 0.261 0.455
O 0.500 0.741 0.554
O 0.500 0.759 0.036
O 0.500 0.236 0.943
O 0.000 0.120 0.201
O 0.000 0.861 0.794
O 0.000 0.652 0.307
O 0.000 0.361 0.704 |
Below is a description of a material. | The chemical formula is: V2CoO6.
The XRD pattern shows main peaks at: 20.3°(0.24), 27.8°(0.59), 28.9°(1.0), 29.6°(0.18), 33.0°(0.69), 38.6°(0.1), 39.1°(0.34), 41.2°(0.1), 43.8°(0.19), 47.0°(0.11), 48.6°(0.13), 49.2°(0.17), 53.0°(0.31), 56.0°(0.11), 57.2°(0.18), 59.4°(0.18), 61.4°(0.26), 62.1°(0.28), 63.0°(0.13), 70.9°(... | JVASP-177365 | 3.46 4.98 6.64
109 90 110
V 0.792 0.608 0.338
V 0.183 0.392 0.662
Co 0.987 -0.000 -0.000
O 0.675 0.374 0.560
O 0.027 0.078 0.737
O 0.948 0.922 0.263
O 0.300 0.626 0.440
O 0.340 0.705 0.893
O 0.635 0.295 0.107 |
Below is a description of a material. | The chemical formula is: GePt.
The XRD pattern shows main peaks at: 20.9°(0.12), 27.8°(0.67), 28.9°(0.2), 30.5°(0.25), 31.8°(0.18), 40.8°(0.54), 41.7°(1.0), 42.5°(0.32), 46.7°(0.24), 48.6°(0.26), 50.5°(0.19), 58.4°(0.09), 65.8°(0.09), 66.5°(0.16), 67.4°(0.15), 69.7°(0.14), 70.6°(0.17), 71.3°(0.09), 83.8°(0.23), 86.0°(0... | JVASP-149784 | 3.75 5.87 6.18
90 90 90
Ge 0.250 0.189 0.412
Ge 0.750 0.311 0.912
Ge 0.750 0.811 0.588
Ge 0.250 0.689 0.088
Pt 0.250 -0.002 0.806
Pt 0.750 0.502 0.306
Pt 0.750 0.002 0.194
Pt 0.250 0.498 0.694 |
Below is a description of a material. | The chemical formula is: ZrSeO.
The XRD pattern shows main peaks at: 26.3°(0.52), 34.2°(1.0), 37.6°(0.85), 43.7°(0.08), 46.5°(0.2), 49.1°(0.28), 51.7°(0.11), 56.6°(0.13), 58.9°(0.44), 63.5°(0.06), 65.7°(0.21), 69.9°(0.09), 74.1°(0.12), 80.2°(0.16), 82.2°(0.09), 84.2°(0.2), 86.2°(0.12).
Generate atomic structure descrip... | JVASP-50450 | 5.86 5.86 5.86
90 90 90
Zr 0.078 0.078 0.078
Zr 0.422 0.922 0.578
Zr 0.578 0.422 0.922
Zr 0.922 0.578 0.422
Se 0.158 0.658 0.842
Se 0.342 0.342 0.342
Se 0.658 0.842 0.158
Se 0.842 0.158 0.658
O 0.151 0.849 0.349
O 0.349 0.151 0.849
O 0.651 0.651 0.651
O 0.849 0.349 0.151 |
Below is a description of a material. | The chemical formula is: V2CoPd.
The XRD pattern shows main peaks at: 11.9°(0.07), 24.0°(0.09), 34.0°(0.06), 36.2°(0.09), 42.1°(1.0), 48.9°(0.33), 71.8°(0.18), 86.7°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187104 | 2.63 2.63 7.41
90 90 90
Co 0.500 0.500 -0.000
Pd 0.500 0.500 0.500
V -0.000 0.000 0.772
V 0.000 -0.000 0.228 |
Below is a description of a material. | The chemical formula is: PrGe2.
The XRD pattern shows main peaks at: 21.9°(0.09), 26.9°(0.3), 32.1°(1.0), 35.0°(0.54), 43.1°(0.37), 44.7°(0.31), 56.7°(0.29), 62.7°(0.13), 63.8°(0.22), 65.6°(0.07), 72.2°(0.2), 85.4°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-4750 | 4.19 4.19 8.64
104 104 89
Pr 0.875 0.625 0.250
Pr 0.125 0.375 0.750
Ge 0.705 0.955 0.910
Ge 0.455 0.205 0.410
Ge 0.545 0.795 0.590
Ge 0.295 0.045 0.090 |
Below is a description of a material. | The chemical formula is: Ce2Mg.
The XRD pattern shows main peaks at: 9.6°(1.0), 19.3°(0.13), 25.7°(0.17), 28.8°(0.2), 32.0°(0.65), 34.1°(0.49), 35.5°(0.1), 36.4°(0.62), 41.5°(0.11), 45.2°(0.11), 47.4°(0.41), 58.7°(0.09), 62.5°(0.13), 69.7°(0.12), 71.8°(0.05), 80.8°(0.09).
Generate atomic structure description with latt... | JVASP-168100 | 3.14 18.46 5.26
90 90 90
Ce 0.500 0.370 0.250
Ce -0.000 0.203 0.250
Ce 0.500 0.297 0.750
Ce 0.000 0.130 0.750
Ce -0.000 0.870 0.250
Ce 0.500 0.703 0.250
Ce 0.000 0.797 0.750
Ce 0.500 0.630 0.750
Mg 0.500 0.041 0.250
Mg -0.000 0.459 0.750
Mg 0.000 0.541 0.250
Mg 0.500 0.959 0.750 |
Below is a description of a material. | The chemical formula is: Yb3I.
The XRD pattern shows main peaks at: 29.7°(1.0), 34.4°(0.52), 49.4°(0.34), 58.7°(0.42), 61.6°(0.12), 72.5°(0.06), 80.3°(0.17), 82.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128341 | 5.21 5.21 5.21
90 90 90
Yb 0.000 0.500 0.500
Yb 0.500 0.000 0.500
Yb 0.500 0.500 0.000
I 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TcCl.
The XRD pattern shows main peaks at: 21.5°(0.27), 35.4°(0.42), 41.8°(1.0), 43.8°(0.17), 57.6°(0.21), 63.6°(0.17), 68.0°(0.08), 79.1°(0.25), 80.5°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124818 | 2.93 2.93 4.13
90 90 120
Tc 0.333 0.667 0.750
Cl 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: HfBe2Pt.
The XRD pattern shows main peaks at: 14.0°(0.73), 28.2°(0.13), 34.0°(1.0), 42.3°(0.7), 42.9°(0.2), 44.2°(0.39), 46.6°(0.16), 53.3°(0.09), 63.3°(0.26), 64.3°(0.13), 66.2°(0.06), 67.5°(0.13), 74.8°(0.23), 80.0°(0.2), 80.4°(0.13), 83.3°(0.1).
Generate atomic structure description with lat... | JVASP-74228 | 2.90 2.90 6.33
90 90 90
Hf 0.000 0.000 0.481
Be 0.000 0.000 0.017
Be 0.500 0.500 0.193
Pt 0.500 0.500 0.809 |
Below is a description of a material. | The chemical formula is: Be2SiNi.
The XRD pattern shows main peaks at: 18.7°(1.0), 30.8°(0.2), 36.3°(0.75), 37.9°(0.06), 44.1°(0.61), 48.3°(0.32), 49.6°(0.85), 59.5°(0.05), 64.1°(0.19), 67.4°(0.21), 75.9°(0.24), 85.1°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67257 | 2.91 2.91 4.75
90 90 90
Be 0.000 0.000 0.017
Be 0.500 0.500 0.238
Si 0.500 0.500 0.749
Ni 0.000 0.000 0.496 |
Below is a description of a material. | The chemical formula is: HfGeSe.
The XRD pattern shows main peaks at: 21.6°(0.16), 26.2°(0.68), 32.7°(0.2), 34.0°(0.42), 35.8°(0.44), 40.7°(1.0), 44.1°(0.08), 48.8°(0.5), 54.0°(0.06), 56.3°(0.18), 60.0°(0.14), 61.7°(0.21), 65.5°(0.41), 67.9°(0.1), 71.5°(0.16), 80.9°(0.06), 81.6°(0.07), 82.4°(0.19), 85.7°(0.27).
Generat... | JVASP-15988 | 3.73 3.73 8.21
90 90 90
Hf 0.500 0.000 0.738
Hf 0.000 0.500 0.262
Ge 0.500 0.500 0.000
Ge 0.000 0.000 0.000
Se 0.000 0.500 0.621
Se 0.500 0.000 0.379 |
Below is a description of a material. | The chemical formula is: TlBiAu.
The XRD pattern shows main peaks at: 22.0°(0.26), 25.4°(0.16), 36.3°(1.0), 42.8°(0.15), 52.2°(0.2), 57.3°(0.07), 58.9°(0.06), 65.2°(0.41), 77.0°(0.12), 88.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156445 | 4.96 4.96 4.96
60 60 60
Tl 0.750 0.750 0.750
Bi 0.250 0.250 0.250
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnNi6O8.
The XRD pattern shows main peaks at: 18.7°(0.19), 21.6°(0.1), 30.8°(0.09), 36.3°(0.06), 38.0°(0.59), 44.1°(1.0), 64.2°(0.5), 77.0°(0.25), 81.1°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154407 | 5.81 5.81 5.81
60 60 60
Mn 0.000 0.000 0.000
Ni 0.500 0.000 -0.000
Ni 0.000 0.500 0.500
Ni 0.000 0.500 -0.000
Ni 0.500 0.000 0.500
Ni 0.000 -0.000 0.500
Ni 0.500 0.500 -0.000
O 0.250 0.250 0.250
O 0.750 0.750 0.750
O 0.767 0.233 0.233
O 0.233 0.767 0.767
O 0.233 0.767 0.233
O 0.767 0.233 0.767
O 0.233 0.233 0.767
O 0.7... |
Below is a description of a material. | The chemical formula is: Tm2Ge5Ru3.
The XRD pattern shows main peaks at: 28.6°(0.18), 31.2°(0.18), 34.0°(0.58), 34.7°(1.0), 36.3°(0.82), 36.6°(0.19), 39.2°(0.25), 40.7°(0.27), 42.8°(0.8), 43.5°(0.1), 52.1°(0.1), 57.7°(0.2), 64.3°(0.11), 65.0°(0.18), 65.7°(0.13).
Generate atomic structure description with lattice length... | JVASP-168325 | 5.74 8.44 8.44
71 70 70
Tm 0.357 0.412 0.873
Tm 0.643 0.588 0.127
Tm 0.857 0.873 0.412
Tm 0.143 0.127 0.588
Ge 0.250 0.500 0.500
Ge 0.750 0.500 0.500
Ge 0.044 0.206 0.206
Ge 0.456 0.794 0.794
Ge 0.956 0.794 0.794
Ge 0.544 0.206 0.206
Ge 0.085 0.737 0.093
Ge 0.915 0.263 0.907
Ge 0.585 0.093 0.737
Ge 0.415 0.907 0.263
Ru... |
Below is a description of a material. | The chemical formula is: SiRu.
The XRD pattern shows main peaks at: 26.5°(0.43), 32.6°(0.21), 42.4°(1.0), 46.7°(0.5), 61.6°(0.09), 64.9°(0.14), 68.2°(0.09), 71.4°(0.13), 74.5°(0.23), 80.7°(0.09), 86.7°(0.07), 89.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91928 | 4.76 4.76 4.76
90 90 90
Si 0.663 0.163 0.337
Si 0.163 0.337 0.663
Si 0.337 0.663 0.163
Si 0.837 0.837 0.837
Ru 0.373 0.873 0.627
Ru 0.873 0.627 0.373
Ru 0.627 0.373 0.873
Ru 0.127 0.127 0.127 |
Below is a description of a material. | The chemical formula is: Co3W.
The XRD pattern shows main peaks at: 20.1°(0.12), 29.8°(0.36), 35.2°(0.14), 40.8°(0.25), 44.3°(0.26), 46.7°(1.0), 57.8°(0.08), 59.8°(0.09), 61.8°(0.14), 74.3°(0.16), 82.0°(0.05), 83.3°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20602 | 5.11 5.11 4.09
90 90 120
Co 0.162 0.324 0.750
Co 0.324 0.162 0.250
Co 0.838 0.162 0.250
Co 0.162 0.838 0.750
Co 0.676 0.838 0.750
Co 0.838 0.676 0.250
W 0.667 0.333 0.750
W 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Tb3Li.
The XRD pattern shows main peaks at: 18.3°(0.11), 20.5°(0.32), 26.1°(0.08), 32.0°(1.0), 33.4°(0.09), 37.2°(0.47), 53.6°(0.34), 63.8°(0.4), 67.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100996 | 5.93 5.93 5.93
131 131 70
Tb 0.750 0.250 0.500
Tb 0.250 0.750 0.500
Tb 0.500 0.500 -0.000
Li 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb2NaTiF6.
The XRD pattern shows main peaks at: 18.0°(0.08), 20.8°(0.09), 29.6°(1.0), 36.5°(0.43), 42.4°(0.56), 52.6°(0.38), 61.5°(0.32), 69.7°(0.17), 73.7°(0.1), 77.6°(0.09), 85.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22191 | 6.03 6.03 6.03
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Na 0.500 0.500 0.500
Ti 0.000 0.000 0.000
F 0.233 0.767 0.767
F 0.233 0.767 0.233
F 0.767 0.233 0.767
F 0.233 0.233 0.767
F 0.767 0.233 0.233
F 0.767 0.767 0.233 |
Below is a description of a material. | The chemical formula is: Y2CdS4.
The XRD pattern shows main peaks at: 22.3°(0.35), 26.3°(1.0), 31.8°(0.23), 41.7°(0.47), 45.6°(0.72), 66.4°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13308 | 7.96 7.96 7.96
60 60 60
Y -0.000 0.500 0.500
Y 0.500 0.500 0.000
Y 0.500 0.000 0.500
Y 0.500 0.500 0.500
Cd 0.125 0.125 0.125
Cd 0.875 0.875 0.875
S 0.743 0.743 0.743
S 0.729 0.257 0.257
S 0.257 0.257 0.729
S 0.743 0.271 0.743
S 0.257 0.729 0.257
S 0.743 0.743 0.271
S 0.257 0.257 0.257
S 0.271 0.743 0.743 |
Below is a description of a material. | The chemical formula is: Si2Ni6B.
The XRD pattern shows main peaks at: 29.2°(0.13), 35.3°(0.11), 43.0°(1.0), 45.3°(0.59), 46.4°(0.34), 51.8°(0.2), 55.8°(0.14), 64.2°(0.11), 72.1°(0.12), 79.6°(0.08), 82.1°(0.17), 86.9°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15432 | 6.12 6.12 2.90
90 90 120
Si 0.333 0.667 0.000
Si 0.667 0.333 0.000
Ni 0.756 0.756 0.000
Ni -0.000 0.244 0.000
Ni 0.390 0.390 0.500
Ni -0.000 0.610 0.500
Ni 0.244 -0.000 0.000
Ni 0.610 -0.000 0.500
B 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: ZrKr.
The XRD pattern shows main peaks at: 23.3°(0.69), 32.5°(0.2), 34.7°(1.0), 40.4°(0.24), 47.6°(0.1), 48.7°(0.42), 58.1°(0.15), 58.8°(0.07), 63.4°(0.25), 69.4°(0.14), 70.5°(0.12), 78.3°(0.12), 79.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-123405 | 3.18 3.18 7.64
90 90 120
Zr 0.333 0.667 0.750
Kr 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Yb3W.
The XRD pattern shows main peaks at: 34.3°(1.0), 49.4°(0.18), 61.5°(0.41), 72.4°(0.12), 82.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37471 | 5.22 5.22 5.22
120 120 89
Yb 0.750 0.250 0.500
Yb 0.250 0.750 0.500
Yb 0.500 0.500 0.000
W 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Er2In.
The XRD pattern shows main peaks at: 33.4°(0.98), 33.8°(1.0), 43.8°(0.06), 48.2°(0.31), 55.6°(0.08), 60.2°(0.37), 66.7°(0.28), 71.1°(0.11), 80.8°(0.15), 86.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19876 | 5.31 5.31 6.61
90 90 120
Er 0.333 0.667 0.750
Er 0.667 0.333 0.250
Er 0.000 0.000 0.500
Er 0.000 0.000 0.000
In 0.667 0.333 0.750
In 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: ErFe4Cu3O12.
The XRD pattern shows main peaks at: 17.4°(0.16), 35.3°(1.0), 39.6°(0.09), 43.6°(0.07), 50.8°(0.25), 63.4°(0.4), 74.7°(0.11), 85.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137325 | 6.23 6.23 6.23
109 109 109
Er 0.000 0.000 0.000
Fe 0.000 0.000 0.500
Fe 0.500 0.000 -0.000
Fe -0.000 0.500 -0.000
Fe 0.500 0.500 0.500
Cu 0.500 0.000 0.500
Cu -0.000 0.500 0.500
Cu 0.500 0.500 -0.000
O 0.299 0.823 0.122
O 0.701 0.177 0.878
O 0.476 0.299 0.177
O 0.524 0.701 0.823
O 0.122 0.299 0.823
O 0.823 0.122 0.299
... |
Below is a description of a material. | The chemical formula is: H2O.
The XRD pattern shows main peaks at: 23.5°(1.0), 25.1°(0.65), 26.7°(0.6), 34.7°(0.29), 41.2°(0.4), 45.2°(0.49), 48.8°(0.18), 49.9°(0.06), 62.9°(0.09), 71.0°(0.09), 77.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-52900 | 4.39 4.39 7.09
90 90 59
H 0.340 0.340 0.701
H 0.660 0.660 0.201
H 0.471 0.471 0.518
H 0.529 0.529 0.018
H 0.928 0.555 0.482
H 0.555 0.928 0.482
H 0.072 0.445 0.982
H 0.445 0.072 0.982
O 0.344 0.344 0.559
O 0.656 0.656 0.059
O 0.676 0.676 0.436
O 0.324 0.324 0.936 |
Below is a description of a material. | The chemical formula is: Sm3Er.
The XRD pattern shows main peaks at: 28.8°(0.09), 29.9°(0.38), 31.0°(0.34), 32.8°(1.0), 37.3°(0.22), 42.8°(0.06), 49.2°(0.09), 51.1°(0.25), 60.3°(0.06), 61.0°(0.27), 62.0°(0.15), 84.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122845 | 3.58 3.58 11.54
90 90 119
Sm 0.000 0.000 0.500
Sm 0.333 0.667 0.247
Sm 0.667 0.333 0.753
Er 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ni3Os.
The XRD pattern shows main peaks at: 24.7°(0.34), 35.2°(0.28), 43.5°(1.0), 50.6°(0.44), 57.1°(0.14), 63.2°(0.11), 74.4°(0.27), 79.8°(0.07), 85.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126318 | 3.60 3.60 3.60
90 90 90
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000
Os 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaLi2Tl.
The XRD pattern shows main peaks at: 14.8°(1.0), 17.2°(0.91), 27.3°(0.32), 29.9°(0.49), 31.4°(0.21), 33.0°(0.35), 34.9°(0.27), 36.4°(0.48), 36.9°(0.14), 41.0°(0.11), 43.9°(0.35), 45.2°(0.29), 48.2°(0.08), 49.2°(0.14), 57.0°(0.07).
Generate atomic structure description with lattice leng... | JVASP-77302 | 11.95 6.80 6.80
49 28 28
Na 0.000 0.000 0.000
Li 0.735 -0.000 -0.000
Li 0.265 0.000 0.000
Tl 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CaRh2.
The XRD pattern shows main peaks at: 20.4°(0.63), 39.6°(1.0), 41.5°(0.75), 48.3°(0.23), 70.7°(0.3), 85.4°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-54915 | 5.33 5.33 5.33
60 60 60
Ca 0.375 0.375 0.375
Ca 0.625 0.625 0.625
Rh -0.000 0.500 0.000
Rh 0.500 0.000 0.000
Rh 0.000 0.000 0.000
Rh 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: RbUAuSe3.
The XRD pattern shows main peaks at: 11.7°(1.0), 14.3°(0.08), 27.7°(0.42), 29.0°(0.48), 32.4°(0.55), 33.4°(0.34), 35.5°(0.16), 36.7°(0.08), 37.6°(0.17), 39.5°(0.16), 40.5°(0.24), 43.2°(0.19), 44.0°(0.08), 44.9°(0.15), 51.2°(0.19), 54.3°(0.08), 55.7°(0.16), 57.1°(0.08), 60.0°(0.11), 69... | JVASP-40548 | 4.19 7.84 10.74
90 90 74
Rb 0.251 0.497 0.250
Rb 0.749 0.503 0.750
U 0.000 0.000 0.000
U 0.000 -0.000 0.500
Au 0.548 0.905 0.250
Au 0.452 0.095 0.750
Se 0.628 0.743 0.039
Se 0.933 0.134 0.250
Se 0.628 0.743 0.461
Se 0.372 0.257 0.539
Se 0.067 0.866 0.750
Se 0.372 0.257 0.961 |
Below is a description of a material. | The chemical formula is: KHgI3.
The XRD pattern shows main peaks at: 13.1°(0.63), 15.1°(0.33), 16.8°(0.39), 20.9°(0.24), 23.5°(0.15), 24.7°(0.23), 25.2°(0.7), 25.8°(0.54), 27.3°(1.0), 28.1°(0.74), 28.4°(0.43), 35.1°(0.24), 39.2°(0.37), 39.9°(0.11), 41.5°(0.63), 43.9°(0.43), 45.2°(0.37), 45.8°(0.19), 46.6°(0.12), 63.7°(... | JVASP-145215 | 8.25 8.52 11.73
90 90 90
K 0.080 0.389 0.643
K 0.920 0.611 0.143
K 0.580 0.111 0.143
K 0.420 0.889 0.643
Hg 0.363 0.669 0.982
Hg 0.637 0.331 0.482
Hg 0.863 0.831 0.482
Hg 0.137 0.169 0.982
I 0.339 0.190 0.443
I 0.661 0.810 0.943
I 0.379 0.225 0.820
I 0.621 0.775 0.320
I 0.879 0.275 0.320
I 0.682 0.559 0.652
I 0.182 -0.... |
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