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: NdAgAs2.
The XRD pattern shows main peaks at: 8.3°(0.12), 23.4°(0.09), 27.6°(0.11), 35.4°(1.0), 44.5°(0.17), 64.6°(0.09), 76.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41112 | 4.07 21.18 5.77
90 134 90
Nd 0.978 0.116 0.727
Nd 0.978 0.384 0.227
Nd 0.022 0.616 0.773
Nd 0.022 0.884 0.273
Ag 0.476 0.250 0.726
Ag 0.476 0.250 0.226
Ag 0.524 0.750 0.774
Ag 0.524 0.750 0.274
As 0.977 0.160 0.227
As 0.977 0.340 0.727
As 0.023 0.660 0.273
As 0.023 0.840 0.773
As 0.455 0.002 0.205
As 0.455 0.498 0.705
... |
Below is a description of a material. | The chemical formula is: BaBr.
The XRD pattern shows main peaks at: 22.0°(0.06), 31.4°(1.0), 45.0°(0.17), 55.8°(0.37), 65.5°(0.11), 74.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-133870 | 4.03 4.03 4.03
90 90 90
Ba 0.025 0.000 0.000
Br 0.525 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TmCoC.
The XRD pattern shows main peaks at: 24.7°(0.27), 26.6°(0.1), 35.3°(0.51), 36.6°(1.0), 44.7°(0.15), 50.7°(0.2), 54.7°(0.08), 57.2°(0.06), 58.2°(0.05), 61.0°(0.05), 64.2°(0.4), 66.8°(0.16), 74.6°(0.07), 77.9°(0.12), 85.3°(0.09), 86.1°(0.09).
Generate atomic structure description with latt... | JVASP-17496 | 3.60 3.60 6.71
90 90 90
Tm 0.000 0.000 0.750
Tm 0.000 0.000 0.250
Co 0.500 0.500 0.000
Co 0.500 0.500 0.500
C 0.500 0.000 0.500
C 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiBeOs4.
The XRD pattern shows main peaks at: 21.3°(1.0), 41.4°(0.83), 43.3°(0.72), 50.5°(0.34), 55.4°(0.24), 67.3°(0.26), 74.2°(0.29), 78.2°(0.18), 88.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74811 | 5.11 5.11 5.11
60 60 60
Ti 0.250 0.250 0.250
Be 0.000 0.000 0.000
Os 0.124 0.625 0.625
Os 0.625 0.625 0.625
Os 0.625 0.124 0.625
Os 0.625 0.625 0.124 |
Below is a description of a material. | The chemical formula is: TeO3.
The XRD pattern shows main peaks at: 16.0°(0.66), 27.4°(0.15), 28.6°(1.0), 31.9°(0.07), 32.4°(0.12), 36.8°(0.2), 48.4°(0.23), 49.9°(0.2), 51.3°(0.21), 57.2°(0.13), 59.5°(0.12), 72.0°(0.06), 78.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-12065 | 3.76 3.76 11.05
90 90 120
Te 0.667 0.333 0.750
Te 0.333 0.667 0.250
O 0.333 0.667 0.413
O 0.667 0.333 0.913
O 0.667 0.333 0.587
O 0.333 0.667 0.087
O 0.000 0.000 0.250
O 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: Pb.
The XRD pattern shows main peaks at: 31.8°(1.0), 45.6°(0.19), 56.7°(0.42), 66.5°(0.13), 75.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25166 | 3.44 3.44 3.44
109 109 109
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TmSi2.
The XRD pattern shows main peaks at: 23.1°(0.13), 25.0°(0.57), 34.3°(1.0), 44.0°(0.32), 47.3°(0.09), 50.3°(0.11), 51.3°(0.08), 54.2°(0.14), 57.0°(0.23), 66.6°(0.19), 69.9°(0.06), 72.3°(0.06), 74.7°(0.22), 79.5°(0.09), 81.0°(0.05), 88.7°(0.07).
Generate atomic structure description with l... | JVASP-14407 | 4.11 4.11 3.84
90 90 120
Tm 0.000 0.000 0.000
Si 0.333 0.667 0.500
Si 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: BaZnIn3.
The XRD pattern shows main peaks at: 29.0°(0.35), 30.0°(1.0), 37.1°(0.54), 40.0°(0.21), 42.1°(0.22), 47.7°(0.18), 53.4°(0.17), 57.3°(0.18), 62.5°(0.24), 74.5°(0.1), 79.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109415 | 6.90 6.90 6.90
138 138 59
Ba 0.003 0.003 0.000
Zn 0.619 0.619 -0.000
In 0.742 0.242 0.500
In 0.242 0.742 0.500
In 0.394 0.394 0.000 |
Below is a description of a material. | The chemical formula is: BeCoGe2.
The XRD pattern shows main peaks at: 22.5°(0.09), 27.1°(0.35), 35.0°(0.05), 42.0°(1.0), 45.9°(0.21), 50.4°(0.31), 58.1°(0.08), 67.9°(0.05), 70.5°(0.21), 74.0°(0.09), 82.3°(0.13), 89.0°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-68012 | 4.71 4.71 4.71
134 134 65
Be 0.500 0.500 0.000
Co 0.750 0.250 0.500
Ge 0.000 0.000 0.000
Ge 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: SrFeO3.
The XRD pattern shows main peaks at: 33.4°(1.0), 41.2°(0.12), 48.0°(0.39), 59.8°(0.34), 70.2°(0.22), 80.0°(0.15), 89.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22556 | 3.79 3.79 3.79
90 90 90
Sr 0.500 0.500 0.500
Fe 0.000 0.000 0.000
O 0.500 0.000 0.000
O 0.000 0.500 0.000
O 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: NdCr2B6.
The XRD pattern shows main peaks at: 17.2°(0.4), 21.3°(0.24), 27.0°(0.74), 30.7°(0.71), 34.7°(0.29), 35.1°(0.99), 38.6°(0.98), 41.3°(1.0), 42.5°(0.1), 53.1°(0.3), 54.8°(0.46), 55.7°(0.39), 59.4°(0.14), 65.0°(0.23), 66.4°(0.13), 69.1°(0.19), 70.2°(0.14), 70.9°(0.24), 74.1°(0.09), 83.7°(... | JVASP-90196 | 3.11 5.53 5.53
73 73 73
Nd -0.000 0.500 0.500
Cr 0.845 0.155 0.155
Cr 0.155 0.845 0.845
B 0.500 0.138 0.862
B 0.500 0.862 0.138
B 0.698 0.038 0.567
B 0.302 0.433 0.962
B 0.698 0.567 0.038
B 0.302 0.962 0.433 |
Below is a description of a material. | The chemical formula is: HBrN.
The XRD pattern shows main peaks at: 25.3°(0.77), 27.4°(1.0), 37.6°(0.93), 48.4°(0.32), 52.0°(0.09), 55.4°(0.42), 56.5°(0.13), 59.7°(0.23), 62.8°(0.2), 73.7°(0.19), 77.5°(0.11), 80.3°(0.11), 83.0°(0.18), 88.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-120021 | 3.76 3.76 3.52
90 90 120
H 0.333 0.667 0.000
Br 0.000 0.000 0.000
N 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Ba4ZrHg.
The XRD pattern shows main peaks at: 15.3°(0.06), 25.0°(0.3), 29.4°(1.0), 30.8°(0.41), 44.1°(0.14), 46.9°(0.39), 51.4°(0.33), 58.0°(0.06), 60.3°(0.14), 61.1°(0.17), 70.0°(0.07), 72.1°(0.26), 75.6°(0.05), 83.1°(0.07).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-64858 | 7.11 7.11 7.11
60 60 60
Ba 0.125 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.125 0.625
Ba 0.625 0.625 0.125
Zr 0.000 0.000 0.000
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ba2YMo3O8.
The XRD pattern shows main peaks at: 7.6°(0.06), 15.2°(0.07), 22.8°(0.06), 26.7°(0.38), 31.2°(0.86), 31.8°(1.0), 38.5°(0.2), 39.0°(0.26), 44.7°(0.59), 50.3°(0.17), 52.8°(0.12), 55.9°(0.42), 60.4°(0.2), 65.0°(0.2), 73.8°(0.14), 78.2°(0.09), 86.5°(0.09).
Generate atomic structure descr... | JVASP-9200 | 4.06 4.06 11.69
90 90 90
Ba 0.500 0.500 0.182
Ba 0.500 0.500 0.818
Y 0.500 0.500 0.500
Mo 0.000 0.000 0.402
Mo 0.000 0.000 -0.000
Mo 0.000 0.000 0.598
O 0.000 0.500 0.374
O 0.500 0.000 0.374
O 0.500 0.000 -0.000
O 0.000 0.000 0.166
O 0.000 0.500 0.626
O 0.500 0.000 0.626
O 0.000 0.000 0.834
O 0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: TiBiO3.
The XRD pattern shows main peaks at: 20.8°(0.29), 22.6°(0.37), 30.9°(1.0), 32.2°(0.46), 38.7°(0.33), 42.4°(0.1), 46.2°(0.26), 48.6°(0.17), 51.2°(0.11), 52.0°(0.1), 54.2°(0.25), 56.6°(0.39), 64.5°(0.11), 67.3°(0.08), 69.2°(0.11), 70.4°(0.1), 75.9°(0.08), 76.6°(0.08), 80.4°(0.08), 88.4°(0... | JVASP-134208 | 3.93 3.93 4.26
90 90 90
Ti 0.500 0.500 0.595
Bi 0.000 0.000 0.034
O 0.500 0.000 0.713
O 0.500 0.500 0.173
O 0.000 0.500 0.713 |
Below is a description of a material. | The chemical formula is: VCo2Si.
The XRD pattern shows main peaks at: 31.5°(0.07), 45.2°(1.0), 65.8°(0.14), 83.4°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17764 | 4.01 4.01 4.01
60 60 60
V 0.000 0.000 0.000
Co 0.750 0.750 0.750
Co 0.250 0.250 0.250
Si 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AsN2.
The XRD pattern shows main peaks at: 17.8°(1.0), 31.4°(0.9), 31.7°(0.85), 36.0°(0.42), 36.3°(0.38), 36.6°(0.37), 45.2°(0.63), 48.5°(0.34), 48.9°(0.39), 55.2°(0.13), 59.1°(0.37), 64.9°(0.18), 66.3°(0.09), 74.1°(0.19), 74.6°(0.12), 75.2°(0.13), 77.4°(0.1), 78.0°(0.12), 85.7°(0.13), 86.3°(0.... | JVASP-116449 | 2.85 2.82 4.99
90 90 90
As 0.800 0.000 0.000
N -0.200 0.000 0.389
N -0.200 0.000 0.611 |
Below is a description of a material. | The chemical formula is: Pr3Pu.
The XRD pattern shows main peaks at: 7.6°(0.29), 29.3°(0.15), 30.3°(0.34), 30.7°(0.33), 33.1°(1.0), 37.5°(0.22), 42.9°(0.14), 51.9°(0.26), 61.5°(0.27), 63.0°(0.18), 85.9°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124047 | 3.52 3.52 11.64
90 90 119
Pr 0.000 0.000 0.500
Pr 0.333 0.667 0.230
Pr 0.667 0.333 0.770
Pu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: VTe2.
The XRD pattern shows main peaks at: 13.1°(0.06), 26.5°(0.2), 28.4°(0.07), 31.4°(1.0), 39.2°(0.35), 49.9°(0.27), 50.3°(0.23), 54.5°(0.06), 57.8°(0.15), 60.6°(0.16), 65.6°(0.07), 73.6°(0.08), 77.3°(0.13), 82.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-28348 | 3.62 3.62 6.74
90 89 119
V 0.000 0.000 0.000
Te 0.667 0.333 0.746
Te 0.333 0.667 0.254 |
Below is a description of a material. | The chemical formula is: ScTc2.
The XRD pattern shows main peaks at: 20.8°(0.51), 40.4°(1.0), 42.3°(0.68), 49.2°(0.19), 65.5°(0.3), 72.2°(0.29), 87.4°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189769 | 5.23 5.23 5.23
60 60 60
Sc 0.875 0.375 0.875
Sc 0.125 0.625 0.125
Tc 0.500 0.000 0.500
Tc 0.500 0.000 -0.000
Tc -0.000 0.000 0.500
Tc 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TlCu7S4.
The XRD pattern shows main peaks at: 17.7°(0.23), 24.1°(0.28), 24.7°(0.4), 27.7°(0.52), 28.1°(0.54), 29.5°(0.3), 30.7°(0.59), 34.3°(0.38), 35.1°(1.0), 35.6°(0.76), 37.6°(0.35), 39.1°(0.32), 39.6°(0.21), 40.0°(0.59), 44.1°(0.14), 46.5°(0.48), 50.1°(0.15), 51.5°(0.28), 52.4°(0.23), 53.3°... | JVASP-171901 | 3.91 7.51 7.35
93 104 72
Tl 0.741 0.498 0.478
Cu 0.019 0.195 0.874
Cu 0.407 0.832 0.111
Cu 0.851 0.125 0.175
Cu 0.779 0.911 0.861
Cu 0.910 0.564 -0.019
Cu 0.510 0.055 0.420
Cu 0.181 0.908 0.621
S 0.294 0.668 0.837
S 0.223 0.307 0.165
S 0.445 0.178 0.698
S 0.965 0.834 0.308 |
Below is a description of a material. | The chemical formula is: Yb4Mn2Sn5.
The XRD pattern shows main peaks at: 29.8°(0.1), 30.8°(0.88), 32.0°(1.0), 32.7°(0.4), 33.1°(0.43), 33.8°(0.19), 34.7°(0.24), 35.7°(0.15), 36.7°(0.19), 39.5°(0.53), 41.8°(0.09), 47.4°(0.07), 49.4°(0.08), 51.6°(0.16), 52.2°(0.22), 54.3°(0.09), 55.1°(0.12), 58.6°(0.1), 66.3°(0.1), 66.9°... | JVASP-56751 | 4.56 7.69 8.54
106 105 90
Yb 0.919 0.133 0.838
Yb 0.852 0.558 0.704
Yb 0.081 0.867 0.162
Yb 0.148 0.442 0.296
Mn 0.275 0.895 0.550
Mn 0.725 0.105 0.450
Sn 0.428 0.839 0.856
Sn 0.300 0.256 0.601
Sn 0.500 0.500 0.000
Sn 0.572 0.161 0.144
Sn 0.700 0.744 0.399 |
Below is a description of a material. | The chemical formula is: ScBe2Mo.
The XRD pattern shows main peaks at: 12.4°(0.58), 25.0°(0.73), 32.5°(0.74), 34.9°(0.19), 41.4°(1.0), 46.6°(0.36), 48.4°(0.08), 50.8°(0.07), 51.3°(0.13), 53.6°(0.34), 62.1°(0.2), 68.0°(0.11), 71.8°(0.19), 73.7°(0.12), 77.4°(0.11), 82.9°(0.26).
Generate atomic structure description with ... | JVASP-70637 | 2.76 2.76 7.12
90 90 90
Sc 0.500 0.500 0.500
Be 0.000 0.000 0.768
Be 0.000 0.000 0.232
Mo 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: V2NiTe4.
The XRD pattern shows main peaks at: 28.6°(0.21), 30.3°(0.45), 30.9°(0.51), 31.3°(1.0), 31.6°(0.66), 32.6°(0.18), 38.8°(0.18), 39.2°(0.18), 40.1°(0.37), 40.6°(0.44), 48.2°(0.48), 50.0°(0.28), 52.1°(0.12), 52.7°(0.21), 56.5°(0.11), 59.6°(0.13), 59.9°(0.14), 65.1°(0.12), 78.0°(0.09), 78.... | JVASP-155246 | 7.24 7.24 6.61
115 115 29
V 0.256 0.256 0.316
V 0.744 0.744 0.684
Ni -0.000 -0.000 0.000
Te 0.360 0.360 0.024
Te 0.102 0.102 0.439
Te 0.898 0.898 0.561
Te 0.640 0.640 0.976 |
Below is a description of a material. | The chemical formula is: U2Mn3Si.
The XRD pattern shows main peaks at: 20.2°(0.41), 23.2°(0.39), 30.5°(0.14), 35.4°(0.64), 40.0°(1.0), 41.1°(0.19), 42.4°(0.45), 42.7°(0.47), 54.5°(0.14), 59.4°(0.08), 63.5°(0.13), 66.6°(0.42), 68.3°(0.11), 74.1°(0.11), 74.9°(0.15), 88.4°(0.21).
Generate atomic structure description with... | JVASP-120461 | 5.07 5.07 7.87
90 90 120
U 0.667 0.333 0.419
U 0.333 0.667 0.581
U 0.333 0.667 0.919
U 0.667 0.333 0.081
Mn 0.830 0.170 0.750
Mn 0.170 0.830 0.250
Mn 0.341 0.170 0.750
Mn 0.659 0.830 0.250
Mn 0.830 0.659 0.750
Mn 0.170 0.341 0.250
Si 0.000 0.000 0.000
Si 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: KN.
The XRD pattern shows main peaks at: 27.0°(0.44), 31.3°(1.0), 44.9°(0.64), 53.2°(0.21), 55.8°(0.19), 65.4°(0.08), 74.3°(0.21), 82.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79532 | 4.04 4.04 5.71
89 90 90
K 0.750 0.751 0.750
K 0.250 0.249 0.250
N 0.750 0.748 0.250
N 0.250 0.252 0.750 |
Below is a description of a material. | The chemical formula is: Li2BO2.
The XRD pattern shows main peaks at: 18.6°(0.25), 33.2°(0.29), 37.7°(0.29), 38.3°(1.0), 51.1°(0.67), 59.2°(0.52), 68.4°(0.16), 72.4°(0.14), 82.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182399 | 3.12 3.12 4.77
90 90 119
Li 0.667 0.333 0.336
Li 0.333 0.667 0.664
B -0.000 0.000 0.000
O 0.667 0.333 0.776
O 0.333 0.667 0.224 |
Below is a description of a material. | The chemical formula is: Nb2VInH.
The XRD pattern shows main peaks at: 21.1°(0.07), 30.4°(0.06), 37.3°(1.0), 43.0°(0.36), 44.2°(0.15), 62.4°(0.11), 63.3°(0.21), 75.0°(0.23), 76.7°(0.12), 79.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187496 | 4.21 4.21 4.10
90 90 90
H 0.000 0.000 0.000
Nb 0.000 0.500 0.000
Nb 0.500 0.000 0.000
V 0.000 0.000 0.500
In 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YbCuSi.
The XRD pattern shows main peaks at: 24.9°(0.35), 34.1°(1.0), 43.8°(0.36), 46.8°(0.1), 53.7°(0.09), 56.7°(0.22), 66.0°(0.21), 74.3°(0.21), 80.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16021 | 4.13 4.13 7.77
90 90 120
Yb 0.000 0.000 0.500
Yb 0.000 0.000 0.000
Cu 0.333 0.667 0.250
Cu 0.667 0.333 0.750
Si 0.667 0.333 0.250
Si 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: TbInPd2.
The XRD pattern shows main peaks at: 37.4°(1.0), 54.0°(0.16), 67.5°(0.35), 79.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79911 | 4.81 4.81 4.81
60 60 60
Tb 0.750 0.750 0.750
In 0.250 0.250 0.250
Pd 0.000 0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ni3Bi2S2.
The XRD pattern shows main peaks at: 20.3°(0.16), 22.2°(1.0), 30.7°(0.99), 32.5°(0.82), 36.2°(0.15), 38.2°(1.0), 41.2°(0.28), 45.3°(0.9), 54.5°(0.2), 55.7°(0.37), 63.9°(0.32), 68.1°(0.24), 81.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-57517 | 5.52 5.52 5.52
63 63 63
Ni 0.000 -0.000 0.500
Ni 0.000 0.500 0.000
Ni 0.500 0.000 -0.000
Bi 0.500 0.500 0.500
Bi 0.000 0.000 0.000
S 0.727 0.727 0.727
S 0.273 0.273 0.273 |
Below is a description of a material. | The chemical formula is: Ba5Pb3.
The XRD pattern shows main peaks at: 10.3°(0.11), 17.2°(0.23), 24.9°(0.07), 26.9°(1.0), 27.8°(0.15), 28.6°(0.42), 31.1°(0.59), 34.2°(0.21), 36.0°(0.15), 37.6°(0.11), 39.0°(0.06), 41.1°(0.09), 42.0°(0.1), 44.0°(0.1), 44.6°(0.16), 47.4°(0.1), 51.3°(0.11), 55.8°(0.17), 56.9°(0.08).
Generat... | JVASP-154288 | 10.74 10.74 10.74
129 129 73
Ba 0.000 0.000 0.000
Ba 0.500 0.500 0.000
Ba 0.320 0.820 0.851
Ba 0.969 0.469 0.149
Ba 0.820 0.969 0.500
Ba 0.469 0.320 0.500
Ba 0.531 0.680 0.500
Ba 0.180 0.031 0.500
Ba 0.031 0.531 0.851
Ba 0.680 0.180 0.149
Pb 0.250 0.250 0.000
Pb 0.750 0.750 0.000
Pb 0.379 0.879 0.259
Pb 0.621 0.121 0.7... |
Below is a description of a material. | The chemical formula is: HfIr.
The XRD pattern shows main peaks at: 36.7°(0.28), 38.4°(0.3), 39.8°(1.0), 41.6°(0.06), 54.1°(0.2), 60.7°(0.08), 68.1°(0.17), 70.3°(0.21), 73.1°(0.08), 74.2°(0.09), 77.8°(0.05), 85.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35708 | 3.05 4.69 4.90
90 90 90
Hf 0.500 0.250 0.269
Hf 0.500 0.750 0.731
Ir 0.000 0.750 0.212
Ir 0.000 0.250 0.788 |
Below is a description of a material. | The chemical formula is: MnRe2O8.
The XRD pattern shows main peaks at: 18.3°(0.11), 23.7°(1.0), 29.9°(0.09), 32.0°(0.36), 35.3°(0.15), 40.2°(0.13), 44.4°(0.11), 48.4°(0.11), 49.5°(0.11), 52.3°(0.25), 57.1°(0.07), 59.2°(0.07), 67.0°(0.07), 69.8°(0.08), 72.1°(0.09).
Generate atomic structure description with lattice leng... | JVASP-29871 | 5.59 5.59 5.97
90 90 120
Mn 0.000 0.000 0.000
Re 0.333 0.667 0.281
Re 0.667 0.333 0.719
O 0.667 0.333 0.426
O 0.333 0.667 0.574
O 0.839 0.161 0.820
O 0.161 0.322 0.180
O 0.678 0.839 0.180
O 0.161 0.839 0.180
O 0.839 0.678 0.820
O 0.322 0.161 0.820 |
Below is a description of a material. | The chemical formula is: TaMnO4.
The XRD pattern shows main peaks at: 19.0°(0.16), 24.8°(1.0), 32.6°(0.1), 37.0°(0.22), 38.0°(0.27), 38.5°(0.14), 46.8°(0.21), 51.3°(0.06), 53.7°(0.24), 54.4°(0.15), 61.1°(0.11), 62.1°(0.14), 68.3°(0.06), 69.3°(0.07), 74.5°(0.11), 80.9°(0.07).
Generate atomic structure description with l... | JVASP-116338 | 5.43 5.43 5.43
138 138 60
Ta 0.000 0.000 0.000
Mn 0.750 0.250 0.500
O 0.962 0.462 0.500
O 0.786 0.786 0.000
O 0.538 0.038 0.500
O 0.214 0.214 0.000 |
Below is a description of a material. | The chemical formula is: TaP.
The XRD pattern shows main peaks at: 26.7°(0.69), 34.1°(0.4), 36.2°(0.35), 40.1°(1.0), 50.6°(0.14), 52.0°(0.24), 59.4°(0.15), 63.7°(0.27), 65.1°(0.23), 76.7°(0.08), 86.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-4798 | 3.52 3.52 5.81
107 107 90
Ta 0.875 0.625 0.250
Ta 0.125 0.375 0.750
P 0.375 0.125 0.250
P 0.625 0.875 0.750 |
Below is a description of a material. | The chemical formula is: NaPuNO.
The XRD pattern shows main peaks at: 19.3°(0.68), 26.3°(0.71), 32.8°(1.0), 37.5°(0.56), 39.3°(0.24), 42.5°(0.42), 47.9°(0.3), 54.0°(0.18), 55.4°(0.37), 57.9°(0.16), 61.0°(0.14), 64.7°(0.32), 67.1°(0.14), 68.8°(0.19), 73.4°(0.09), 75.0°(0.17), 80.0°(0.05), 83.2°(0.07), 85.5°(0.06), 89.1°... | JVASP-159642 | 4.80 4.80 4.59
90 90 90
Na 0.250 0.250 0.000
Na 0.750 0.750 0.000
Pu 0.750 0.250 0.500
Pu 0.250 0.750 0.500
N 0.750 0.750 0.500
N 0.250 0.250 0.500
O 0.750 0.250 0.000
O 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: NaLaScSbO6.
The XRD pattern shows main peaks at: 19.2°(0.47), 31.6°(1.0), 37.4°(0.19), 45.3°(0.43), 56.1°(0.19), 56.6°(0.25), 66.0°(0.07), 75.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-141428 | 5.70 5.62 9.77
54 90 90
Na 0.222 0.256 0.749
Na 0.778 0.256 0.249
La 0.293 0.740 0.249
La 0.707 0.740 0.749
Sc 0.243 0.998 0.501
Sc 0.757 0.998 0.001
Sb 0.755 0.500 0.499
Sb 0.245 0.500 0.999
O 0.529 0.664 0.043
O 0.471 0.664 0.543
O 0.457 0.259 0.959
O 0.543 0.259 0.459
O 0.048 0.742 0.045
O 0.229 0.170 0.244
O 0.272 ... |
Below is a description of a material. | The chemical formula is: Be2CdNi.
The XRD pattern shows main peaks at: 22.9°(0.07), 28.0°(1.0), 43.5°(0.96), 46.8°(0.15), 52.4°(0.2), 60.5°(0.23), 65.8°(0.09), 70.4°(0.12), 72.9°(0.15), 77.3°(0.06), 84.5°(0.1), 88.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-70617 | 4.60 4.60 4.60
135 135 64
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Cd 0.500 0.500 0.000
Ni 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Be2BiBr.
The XRD pattern shows main peaks at: 12.5°(0.41), 25.4°(1.0), 31.2°(0.57), 35.1°(0.08), 37.4°(0.77), 40.4°(0.29), 43.7°(0.08), 50.5°(0.16), 51.7°(0.18), 52.8°(0.27), 57.3°(0.34), 60.5°(0.18), 64.5°(0.07), 66.6°(0.15), 74.2°(0.05), 75.2°(0.16), 79.8°(0.11), 86.2°(0.15).
Generate atomic ... | JVASP-70558 | 7.53 7.53 7.53
152 152 39
Be 0.000 0.000 0.000
Be 0.250 0.750 0.500
Bi 0.500 0.500 0.000
Br 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: ScAgO3.
The XRD pattern shows main peaks at: 17.5°(0.23), 22.4°(0.15), 28.0°(0.15), 28.5°(1.0), 33.2°(0.66), 35.4°(0.14), 36.1°(0.34), 40.4°(0.17), 42.3°(0.07), 45.7°(0.14), 51.5°(0.52), 57.6°(0.3), 59.1°(0.11), 59.4°(0.11), 62.2°(0.11), 65.7°(0.18), 76.6°(0.06), 78.1°(0.06).
Generate atomic st... | JVASP-43442 | 3.19 6.44 6.44
76 89 89
Sc 0.000 0.001 0.500
Sc -0.000 0.501 0.000
Ag 0.500 0.501 0.500
Ag 0.500 0.001 0.000
O 0.500 0.189 0.537
O 0.500 0.464 0.812
O 0.000 0.865 0.865
O -0.000 0.136 0.136
O 0.500 0.812 0.463
O 0.500 0.538 0.189 |
Below is a description of a material. | The chemical formula is: Cu2GeS3.
The XRD pattern shows main peaks at: 28.8°(1.0), 29.2°(0.95), 33.6°(0.17), 47.7°(0.21), 48.4°(0.79), 56.9°(0.28), 57.6°(0.4), 70.6°(0.11), 77.1°(0.05), 89.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93663 | 3.81 5.30 6.49
114 107 90
Cu 0.168 0.429 0.335
Cu 0.832 0.094 0.665
Ge 0.500 0.732 0.000
S 0.332 0.332 0.663
S 0.668 0.669 0.337
S 0.000 0.002 0.000 |
Below is a description of a material. | The chemical formula is: KTh2Te6.
The XRD pattern shows main peaks at: 7.5°(0.79), 15.0°(0.14), 16.1°(0.25), 20.7°(0.14), 23.1°(0.16), 27.6°(1.0), 29.7°(0.26), 31.2°(0.29), 32.6°(0.16), 33.5°(0.1), 35.5°(0.38), 36.4°(0.25), 36.8°(0.2), 37.2°(0.38), 39.9°(0.08), 40.8°(0.3), 51.4°(0.12), 53.2°(0.08), 56.2°(0.12), 66.9°(0... | JVASP-173904 | 4.41 6.21 12.05
90 79 90
K 0.496 0.750 0.008
Th 0.677 0.750 0.645
Th 0.322 0.250 0.355
Te 0.275 0.750 0.449
Te 0.725 0.250 0.550
Te 0.101 0.500 0.797
Te 0.898 0.496 0.203
Te 0.101 1.000 0.797
Te 0.898 0.004 0.203 |
Below is a description of a material. | The chemical formula is: BeAu2.
The XRD pattern shows main peaks at: 17.1°(0.08), 31.9°(0.9), 34.6°(0.36), 40.5°(1.0), 44.0°(0.5), 57.2°(0.35), 63.9°(0.16), 71.5°(0.23), 74.8°(0.18), 78.5°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16832 | 2.91 2.91 5.57
105 105 90
Be 0.000 0.000 0.000
Au 0.359 0.359 0.718
Au 0.641 0.641 0.282 |
Below is a description of a material. | The chemical formula is: LuPa3.
The XRD pattern shows main peaks at: 33.1°(1.0), 38.4°(0.51), 55.4°(0.34), 66.1°(0.43), 69.4°(0.11), 82.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125698 | 4.69 4.69 4.69
90 90 90
Lu 0.000 0.000 0.500
Pa 0.000 0.500 0.000
Pa 0.500 0.000 0.000
Pa 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CoNiP.
The XRD pattern shows main peaks at: 30.7°(0.06), 41.2°(1.0), 45.1°(0.44), 47.7°(0.33), 54.5°(0.24), 55.2°(0.2), 75.9°(0.15), 81.3°(0.15), 89.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107003 | 5.83 5.83 3.33
90 90 120
Co 0.609 0.000 0.000
Co 0.000 0.609 0.000
Co 0.391 0.391 0.000
Ni 0.262 0.000 0.500
Ni 0.000 0.262 0.500
Ni 0.738 0.738 0.500
P 0.333 0.667 0.500
P 0.667 0.333 0.500
P 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Y2MgAg.
The XRD pattern shows main peaks at: 20.8°(0.18), 34.3°(1.0), 40.5°(0.1), 49.3°(0.17), 61.5°(0.37), 72.4°(0.1), 82.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182745 | 5.22 5.22 5.22
60 60 60
Y 0.250 0.250 0.250
Y 0.750 0.750 0.750
Mg 0.500 0.500 0.500
Ag -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: Na3PSe4.
The XRD pattern shows main peaks at: 17.2°(0.23), 24.4°(0.09), 30.0°(1.0), 34.8°(0.41), 39.1°(0.18), 43.0°(0.07), 46.6°(0.14), 53.3°(0.51), 56.4°(0.08), 59.4°(0.1), 62.4°(0.12), 65.2°(0.06), 70.8°(0.09), 76.1°(0.09), 78.7°(0.14), 81.3°(0.09), 86.5°(0.07).
Generate atomic structure desc... | JVASP-94793 | 6.32 6.32 6.32
109 109 109
Na 0.000 0.500 0.500
Na 0.500 0.000 0.500
Na 0.500 0.500 -0.000
P 0.000 0.000 0.000
Se 0.357 -0.000 -0.000
Se -0.000 0.357 -0.000
Se 0.000 0.000 0.357
Se 0.643 0.643 0.643 |
Below is a description of a material. | The chemical formula is: BaPtBr2.
The XRD pattern shows main peaks at: 13.8°(0.43), 24.4°(0.16), 28.5°(1.0), 31.7°(0.22), 34.5°(0.96), 40.7°(0.41), 43.2°(0.09), 47.1°(0.23), 48.0°(0.06), 51.7°(0.07), 54.4°(0.49), 58.9°(0.14), 64.0°(0.19), 65.3°(0.07), 66.7°(0.19), 68.5°(0.05), 70.1°(0.11), 72.7°(0.05), 78.6°(0.05), 84.... | JVASP-137874 | 4.44 4.44 6.42
90 90 90
Ba 0.500 0.500 0.624
Pt 0.000 0.000 0.828
Br 0.000 0.000 0.453
Br 0.500 0.500 0.104 |
Below is a description of a material. | The chemical formula is: Y2Zn17.
The XRD pattern shows main peaks at: 34.6°(0.33), 35.8°(0.22), 40.4°(1.0), 41.2°(0.32), 45.4°(0.61), 73.0°(0.19), 74.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22942 | 6.79 6.79 6.79
82 82 82
Y 0.334 0.334 0.334
Y 0.666 0.666 0.666
Zn 0.838 0.354 0.354
Zn 0.162 0.646 0.646
Zn 0.646 0.646 0.162
Zn 0.646 0.162 0.646
Zn 0.703 0.000 0.297
Zn -0.000 0.297 0.703
Zn 0.297 0.703 0.000
Zn 0.354 0.354 0.838
Zn 0.703 0.297 -0.000
Zn 0.000 0.500 -0.000
Zn 0.500 -0.000 -0.000
Zn 0.000 0.000 0.500... |
Below is a description of a material. | The chemical formula is: CeAl2Ag2.
The XRD pattern shows main peaks at: 16.6°(0.06), 21.8°(0.2), 32.4°(0.24), 33.3°(1.0), 41.0°(0.38), 44.8°(0.06), 47.4°(0.1), 53.2°(0.12), 54.0°(0.17), 59.4°(0.12), 60.0°(0.16), 64.4°(0.07), 69.8°(0.24), 85.1°(0.08), 89.4°(0.11).
Generate atomic structure description with lattice lengt... | JVASP-155539 | 6.17 6.17 6.17
138 138 60
Ce 0.000 0.000 0.000
Al 0.382 0.382 0.000
Al 0.618 0.618 -0.000
Ag 0.750 0.250 0.500
Ag 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: ArAl3.
The XRD pattern shows main peaks at: 33.7°(1.0), 39.1°(0.45), 56.6°(0.3), 67.5°(0.37), 70.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125481 | 4.60 4.60 4.60
90 90 90
Ar 0.000 0.000 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500
Al 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: HeK3.
The XRD pattern shows main peaks at: 13.8°(0.25), 19.6°(0.22), 24.1°(1.0), 27.9°(0.49), 31.2°(0.13), 34.3°(0.1), 39.8°(0.38), 42.3°(0.06), 47.0°(0.39), 49.3°(0.12), 63.3°(0.16), 65.1°(0.14), 72.2°(0.09), 77.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-125847 | 6.41 6.41 6.41
90 90 90
He 0.000 0.000 0.000
K 0.000 0.500 0.500
K 0.500 0.000 0.500
K 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiMgO3.
The XRD pattern shows main peaks at: 22.8°(1.0), 32.5°(0.09), 40.0°(0.14), 46.6°(0.51), 52.4°(0.29), 57.9°(0.06), 68.0°(0.26), 72.7°(0.12), 86.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179500 | 3.90 3.90 3.90
90 90 90
Li 0.000 0.000 0.000
Mg 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500
O 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BIr3.
The XRD pattern shows main peaks at: 23.6°(0.33), 33.7°(0.28), 41.5°(1.0), 48.4°(0.49), 54.5°(0.15), 60.2°(0.11), 70.8°(0.35), 75.8°(0.07), 80.7°(0.05), 85.6°(0.4).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129199 | 3.76 3.76 3.76
90 90 90
B 0.000 0.000 0.000
Ir 0.000 0.500 0.500
Ir 0.500 0.000 0.500
Ir 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiHg2Pt.
The XRD pattern shows main peaks at: 21.5°(1.0), 28.5°(0.16), 36.4°(0.38), 38.3°(0.27), 39.2°(0.48), 39.6°(0.23), 40.8°(0.4), 41.7°(0.28), 45.6°(0.15), 56.6°(0.19), 57.9°(0.15), 65.0°(0.05), 65.6°(0.06), 69.6°(0.08), 74.5°(0.07), 75.5°(0.06), 81.0°(0.09).
Generate atomic structure desc... | JVASP-79745 | 13.58 7.34 7.34
34 20 20
Li 0.000 0.000 0.000
Hg 0.219 0.461 0.461
Hg 0.781 0.539 -0.461
Pt 0.500 -0.000 1.000 |
Below is a description of a material. | The chemical formula is: Ce3Sb.
The XRD pattern shows main peaks at: 32.6°(1.0), 37.8°(0.52), 54.5°(0.36), 65.0°(0.38), 68.2°(0.12), 80.7°(0.06), 89.8°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129113 | 4.76 4.76 4.76
90 90 90
Ce 0.000 0.500 0.500
Ce 0.500 0.000 0.500
Ce 0.500 0.500 0.000
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NaSbS2.
The XRD pattern shows main peaks at: 16.3°(0.51), 22.2°(0.5), 27.7°(0.34), 31.6°(1.0), 32.9°(0.44), 35.7°(0.27), 40.1°(0.2), 45.3°(0.35), 46.3°(0.63), 48.4°(0.12), 51.0°(0.11), 53.9°(0.13), 57.1°(0.34), 62.0°(0.11), 66.0°(0.1), 75.0°(0.15), 75.7°(0.14), 77.9°(0.13), 84.4°(0.2), 86.5°(0.... | JVASP-109378 | 4.00 4.00 5.44
90 90 90
Na 0.000 0.000 0.000
Sb 0.500 0.500 0.500
S 0.000 0.000 0.500
S 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Nd3SnN.
The XRD pattern shows main peaks at: 15.3°(1.0), 26.6°(0.57), 30.9°(0.9), 34.6°(0.56), 44.2°(0.72), 47.0°(0.28), 52.4°(0.26), 54.9°(0.25), 57.3°(0.13), 64.3°(0.12), 66.5°(0.17), 70.9°(0.11), 73.0°(0.32), 75.1°(0.12), 81.3°(0.23), 83.4°(0.06), 87.5°(0.08).
Generate atomic structure descr... | JVASP-18204 | 5.80 5.80 5.80
90 90 90
Nd 0.500 0.000 0.500
Nd 0.500 0.500 0.000
Nd 0.000 0.500 0.500
Sn 0.500 0.500 0.500
N 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HPdCl.
The XRD pattern shows main peaks at: 16.0°(0.74), 31.3°(1.0), 32.2°(0.34), 35.4°(0.43), 44.9°(0.38), 45.6°(0.55), 48.0°(0.19), 49.2°(0.09), 56.4°(0.27), 59.5°(0.21), 65.4°(0.12), 67.8°(0.07), 68.8°(0.13), 74.3°(0.16), 74.8°(0.12), 76.6°(0.1), 83.3°(0.18), 86.0°(0.07).
Generate atomic str... | JVASP-118049 | 2.85 2.85 5.55
90 90 90
H 0.000 0.000 -0.013
Pd 0.000 0.000 0.699
Cl 0.000 0.000 0.289 |
Below is a description of a material. | The chemical formula is: LiAl.
The XRD pattern shows main peaks at: 24.3°(0.6), 40.1°(1.0), 47.4°(0.26), 58.0°(0.15), 72.9°(0.34), 86.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176058 | 4.50 4.50 4.49
120 120 90
Li 0.375 0.625 0.750
Li 0.625 0.375 0.250
Al 0.875 0.125 0.750
Al 0.125 0.875 0.250 |
Below is a description of a material. | The chemical formula is: Ho2GaAg.
The XRD pattern shows main peaks at: 24.9°(0.09), 35.5°(1.0), 51.1°(0.18), 63.8°(0.36), 75.2°(0.11), 86.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103256 | 5.05 5.05 5.05
60 60 60
Ho 0.250 0.250 0.250
Ho 0.750 0.750 0.750
Ga 0.000 0.000 0.000
Ag 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MgIrO2.
The XRD pattern shows main peaks at: 18.1°(0.96), 30.0°(0.59), 35.2°(1.0), 36.6°(0.4), 42.9°(0.53), 46.9°(0.36), 48.0°(0.37), 57.6°(0.39), 62.3°(0.17), 65.0°(0.2), 65.4°(0.13), 70.7°(0.1), 73.6°(0.26), 74.5°(0.18), 82.3°(0.16), 85.6°(0.08), 88.8°(0.06).
Generate atomic structure descrip... | JVASP-115155 | 2.98 2.98 4.91
90 90 90
Mg 0.000 0.000 0.232
Ir 0.500 0.500 0.735
O 0.000 0.000 0.803
O 0.500 0.500 0.230 |
Below is a description of a material. | The chemical formula is: U.
The XRD pattern shows main peaks at: 36.8°(1.0), 53.1°(0.18), 66.3°(0.36), 78.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14594 | 2.99 2.99 2.99
109 109 109
U 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PaTi3.
The XRD pattern shows main peaks at: 23.0°(0.5), 26.7°(0.29), 38.1°(1.0), 45.0°(0.31), 47.1°(0.09), 55.0°(0.15), 60.4°(0.11), 62.1°(0.13), 68.8°(0.34), 81.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100217 | 4.73 4.73 4.73
60 60 60
Pa 0.000 0.000 0.000
Ti 0.250 0.250 0.250
Ti 0.750 0.750 0.750
Ti 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaSm2S4.
The XRD pattern shows main peaks at: 14.8°(0.28), 21.0°(0.16), 25.7°(1.0), 29.8°(0.08), 33.5°(0.98), 39.8°(0.7), 42.5°(0.05), 48.0°(0.35), 50.5°(0.26), 55.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13321 | 7.34 7.34 7.34
109 109 109
Ca 0.625 0.375 0.250
Ca 0.875 0.125 0.750
Sm 0.122 0.750 0.872
Sm 0.250 0.622 0.372
Sm 0.378 0.250 0.628
Sm 0.750 0.878 0.128
S 0.004 0.859 0.502
S 0.002 0.357 0.498
S 0.496 0.998 0.855
S 0.141 0.143 0.145
S 0.359 0.504 0.002
S 0.643 0.641 0.645
S 0.498 0.996 0.355
S 0.857 0.502 0.998 |
Below is a description of a material. | The chemical formula is: PrIr2.
The XRD pattern shows main peaks at: 19.9°(0.18), 32.8°(0.2), 38.6°(1.0), 40.4°(0.52), 47.0°(0.1), 62.4°(0.32), 68.7°(0.33), 82.9°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19908 | 5.46 5.46 5.46
60 60 60
Pr 0.125 0.125 0.125
Pr 0.875 0.875 0.875
Ir 0.000 0.500 0.500
Ir 0.500 0.000 0.500
Ir 0.500 0.500 -0.000
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: InSb.
The XRD pattern shows main peaks at: 28.6°(0.57), 29.1°(1.0), 32.1°(0.59), 41.3°(0.43), 43.9°(0.54), 60.3°(0.11), 61.3°(0.22), 68.1°(0.09), 69.3°(0.31), 70.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150998 | 4.37 4.37 18.55
90 90 90
In 0.937 0.063 0.750
In 0.063 0.937 0.250
In 0.554 0.446 0.910
In 0.446 0.554 0.410
In 0.554 0.446 0.590
In 0.446 0.554 0.090
Sb 0.439 0.561 0.750
Sb 0.561 0.439 0.250
Sb 0.055 0.945 0.924
Sb 0.945 0.055 0.424
Sb 0.055 0.945 0.576
Sb 0.945 0.055 0.076 |
Below is a description of a material. | The chemical formula is: Zr3Au.
The XRD pattern shows main peaks at: 10.9°(0.24), 29.6°(0.06), 35.3°(1.0), 39.2°(0.4), 43.4°(0.06), 44.5°(0.13), 56.6°(0.13), 60.8°(0.21), 68.5°(0.29), 74.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190697 | 3.25 3.25 8.14
90 90 90
Au 0.000 -0.000 -0.000
Zr 0.000 -0.000 0.500
Zr 0.500 0.500 0.235
Zr 0.500 0.500 0.765 |
Below is a description of a material. | The chemical formula is: SrHgPb.
The XRD pattern shows main peaks at: 20.1°(0.19), 21.6°(0.28), 22.9°(0.27), 29.7°(0.87), 35.3°(1.0), 38.6°(0.48), 41.7°(0.33), 46.7°(0.23), 53.3°(0.2), 57.6°(0.11), 59.9°(0.46), 63.3°(0.2), 65.5°(0.2), 71.5°(0.14), 74.6°(0.12), 82.3°(0.2).
Generate atomic structure description with latt... | JVASP-35088 | 5.09 5.09 8.24
90 90 119
Sr 1.000 1.000 0.666
Sr 0.000 0.000 0.166
Hg 0.667 0.333 0.475
Hg 0.333 0.667 0.975
Pb 0.667 0.333 0.879
Pb 0.333 0.667 0.379 |
Below is a description of a material. | The chemical formula is: H3Rh.
The XRD pattern shows main peaks at: 25.2°(0.93), 35.2°(0.86), 43.7°(1.0), 51.7°(0.13), 62.9°(0.13), 64.0°(0.34), 68.9°(0.2), 74.4°(0.08), 80.0°(0.12), 85.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125432 | 3.54 2.96 2.94
60 90 90
H 0.875 0.250 0.500
H 0.189 0.586 0.832
H 0.561 -0.086 0.168
Rh -0.625 0.250 -0.500 |
Below is a description of a material. | The chemical formula is: YbNb.
The XRD pattern shows main peaks at: 25.1°(0.1), 35.7°(1.0), 51.4°(0.18), 64.2°(0.39), 75.7°(0.12), 86.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129410 | 3.55 3.55 3.55
90 90 90
Yb 0.000 0.000 0.000
Nb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ni2B.
The XRD pattern shows main peaks at: 25.3°(0.07), 36.1°(0.21), 42.2°(0.26), 45.9°(1.0), 49.9°(0.06), 56.7°(0.16), 58.6°(0.13), 79.9°(0.16), 82.1°(0.07), 83.1°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8008 | 4.12 4.12 4.12
105 105 117
Ni 0.920 0.580 -0.000
Ni 0.080 0.080 0.661
Ni 0.580 0.920 0.000
Ni 0.420 0.420 0.339
B 0.500 -0.000 0.500
B 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AlI3.
The XRD pattern shows main peaks at: 23.8°(0.76), 25.4°(0.41), 26.4°(0.07), 27.7°(0.44), 31.5°(1.0), 34.1°(0.06), 35.1°(0.35), 42.0°(0.06), 44.3°(0.12), 46.9°(0.34), 48.0°(0.1), 48.7°(0.1), 51.2°(0.24), 54.3°(0.15), 55.1°(0.09), 55.7°(0.09), 60.9°(0.13), 62.8°(0.14), 70.8°(0.07).
Generate... | JVASP-131930 | 4.19 4.19 10.52
90 90 126
Al 0.250 0.250 0.125
I 0.250 0.250 0.625
I 0.750 0.750 0.316
I 0.750 0.750 0.934 |
Below is a description of a material. | The chemical formula is: LuPa.
The XRD pattern shows main peaks at: 31.5°(0.49), 35.4°(1.0), 45.2°(0.18), 56.2°(0.18), 58.7°(0.23), 65.9°(0.27), 68.2°(0.15), 74.9°(0.06), 85.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127090 | 3.27 3.27 5.67
90 90 119
Lu 0.333 0.667 0.250
Pa 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: HoAl3B4O12.
The XRD pattern shows main peaks at: 16.4°(0.77), 19.0°(0.52), 25.2°(0.55), 27.0°(0.28), 31.8°(0.41), 33.2°(1.0), 38.6°(0.59), 42.2°(0.42), 46.7°(0.14), 54.7°(0.25), 55.7°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146402 | 5.90 5.90 5.90
104 104 104
Ho 0.500 0.500 0.500
Al 0.055 0.945 0.500
Al 0.945 0.500 0.055
Al 0.500 0.055 0.945
B 0.443 0.557 0.000
B 0.557 0.000 0.443
B -0.000 0.443 0.557
B 0.000 0.000 0.000
O 0.592 0.408 0.000
O 0.000 0.851 0.149
O 0.149 -0.000 0.851
O 0.851 0.149 0.000
O 0.871 0.471 0.720
O 0.529 0.129 0.280
O 0.129... |
Below is a description of a material. | The chemical formula is: Li2Mg.
The XRD pattern shows main peaks at: 5.9°(1.0), 11.8°(0.06), 33.3°(0.06), 33.8°(0.06), 35.4°(0.09), 37.9°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94410 | 3.11 3.11 15.06
90 90 120
Li 0.333 0.667 0.917
Li 0.667 0.333 0.754
Li 0.333 0.667 0.246
Li 0.667 0.333 0.083
Mg 0.333 0.667 0.589
Mg 0.667 0.333 0.411 |
Below is a description of a material. | The chemical formula is: Tb5Si3C.
The XRD pattern shows main peaks at: 20.9°(0.21), 24.2°(0.22), 25.1°(0.3), 27.7°(0.05), 30.3°(0.53), 32.2°(0.48), 35.2°(1.0), 36.7°(0.2), 45.0°(0.06), 46.6°(0.12), 51.6°(0.27), 53.9°(0.26), 57.5°(0.27), 67.1°(0.12), 70.4°(0.17), 85.4°(0.18).
Generate atomic structure description with l... | JVASP-159557 | 8.48 8.48 6.45
90 90 120
Tb 0.333 0.667 0.000
Tb 0.777 1.000 0.750
Tb 0.777 0.777 0.250
Tb 0.000 0.223 0.250
Tb 0.223 0.000 0.250
Tb 0.333 0.667 0.500
Tb 0.667 0.333 0.000
Tb 0.667 0.333 0.500
Tb 0.223 0.223 0.750
Tb 1.000 0.777 0.750
Si 0.591 0.591 0.750
Si 1.000 0.409 0.750
Si 0.409 1.000 0.750
Si 0.409 0.409 0.250
S... |
Below is a description of a material. | The chemical formula is: Al2Si2H4O9.
The XRD pattern shows main peaks at: 12.4°(1.0), 19.7°(0.25), 20.2°(0.75), 21.1°(0.72), 23.0°(0.51), 23.7°(0.26), 25.0°(0.84), 26.4°(0.32), 28.7°(0.09), 32.6°(0.1), 34.7°(0.24), 35.7°(0.35), 38.1°(0.4), 39.1°(0.39), 45.2°(0.13), 54.9°(0.12), 55.3°(0.12), 56.9°(0.13), 61.8°(0.3), 70.... | JVASP-30068 | 5.21 5.20 7.38
84 99 59
Al 0.797 0.195 0.481
Al 0.126 0.537 0.478
Si 0.333 0.343 0.090
Si 0.676 0.658 0.092
H 0.210 0.920 0.326
H 0.238 0.108 0.740
H 0.553 0.457 0.738
H 0.862 0.770 0.734
O 0.130 0.206 0.609
O 0.022 0.920 0.326
O 0.964 0.571 0.995
O 0.405 0.303 0.316
O 0.504 0.496 0.995
O 0.785 0.542 0.318
O 0.514 0.43... |
Below is a description of a material. | The chemical formula is: Na2GaAs.
The XRD pattern shows main peaks at: 25.2°(0.3), 36.0°(1.0), 44.5°(0.09), 51.8°(0.17), 58.5°(0.13), 64.7°(0.33), 76.3°(0.1), 81.9°(0.06), 87.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186767 | 4.99 4.99 4.99
60 60 60
Na 0.250 0.250 0.250
Na 0.750 0.750 0.750
Ga -0.000 -0.000 -0.000
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Rb3Hg.
The XRD pattern shows main peaks at: 14.7°(0.15), 20.8°(0.15), 25.5°(1.0), 29.6°(0.52), 33.2°(0.09), 36.4°(0.08), 42.3°(0.41), 45.0°(0.06), 50.1°(0.48), 52.5°(0.13), 61.4°(0.07), 67.6°(0.2), 69.6°(0.19), 77.4°(0.14), 83.1°(0.14).
Generate atomic structure description with lattice lengths... | JVASP-38235 | 6.04 6.04 6.04
90 90 90
Rb 0.000 0.500 0.500
Rb 0.500 0.000 0.500
Rb 0.500 0.500 0.000
Hg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SiCCl3F3.
The XRD pattern shows main peaks at: 15.2°(0.18), 18.8°(0.83), 19.4°(0.72), 21.6°(0.07), 24.3°(0.15), 24.9°(0.49), 28.5°(0.79), 29.5°(0.73), 30.7°(0.84), 32.6°(0.19), 33.9°(1.0), 40.0°(0.88), 44.1°(0.09), 49.2°(0.42), 52.8°(0.15), 58.8°(0.17), 59.3°(0.14), 60.7°(0.1), 64.6°(0.13).
Gen... | JVASP-32414 | 6.09 7.41 7.41
76 87 87
Si 0.677 0.811 0.811
Si 0.323 0.189 0.189
C 0.250 0.353 0.353
C 0.750 0.647 0.647
Cl 0.344 0.832 0.832
Cl 0.191 0.307 0.940
Cl 0.809 0.693 0.060
Cl 0.809 0.060 0.693
Cl 0.656 0.168 0.168
Cl 0.191 0.940 0.307
F 0.669 0.474 0.714
F 0.669 0.714 0.474
F 0.026 0.375 0.375
F 0.331 0.286 0.526
F 0.974 ... |
Below is a description of a material. | The chemical formula is: CaTiO3.
The XRD pattern shows main peaks at: 23.0°(0.12), 32.7°(1.0), 40.4°(0.12), 46.9°(0.54), 58.4°(0.35), 68.6°(0.29), 78.1°(0.13), 87.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-117991 | 3.87 3.87 3.87
90 90 90
Ca 0.500 0.500 0.500
Ti 0.000 0.000 0.000
O 0.000 0.500 0.000
O 0.000 0.000 0.500
O 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: InPd3.
The XRD pattern shows main peaks at: 38.7°(1.0), 44.9°(0.47), 65.4°(0.3), 78.7°(0.37), 82.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79244 | 4.03 4.03 4.03
90 90 90
In 0.000 0.000 0.000
Pd 0.000 0.500 0.500
Pd 0.500 0.000 0.500
Pd 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NiS2.
The XRD pattern shows main peaks at: 20.4°(0.68), 32.4°(1.0), 35.2°(0.22), 41.8°(0.27), 51.9°(0.23), 55.3°(0.36), 62.5°(0.25), 68.6°(0.1), 76.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15832 | 4.98 4.98 5.68
116 116 90
Ni 0.250 0.750 0.500
Ni 0.000 0.000 0.000
S 0.862 0.875 0.250
S 0.625 0.138 0.750
S 0.388 0.375 0.250
S 0.125 0.612 0.750 |
Below is a description of a material. | The chemical formula is: CaMnF6.
The XRD pattern shows main peaks at: 18.6°(0.06), 21.0°(0.12), 23.6°(1.0), 32.1°(0.34), 35.1°(0.05), 40.0°(0.32), 42.7°(0.12), 48.3°(0.1), 52.4°(0.36), 56.4°(0.1), 61.1°(0.1), 62.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-8351 | 5.62 5.62 5.62
54 54 54
Ca 0.500 0.500 0.500
Mn 0.000 0.000 0.000
F 0.369 0.065 0.788
F 0.065 0.788 0.369
F 0.212 0.631 0.935
F 0.935 0.212 0.631
F 0.631 0.935 0.212
F 0.788 0.369 0.065 |
Below is a description of a material. | The chemical formula is: Rb2InBr.
The XRD pattern shows main peaks at: 8.9°(0.57), 18.0°(0.08), 22.9°(0.44), 23.4°(0.4), 26.7°(1.0), 27.1°(0.47), 28.2°(0.18), 32.4°(0.08), 37.5°(0.2), 38.4°(0.76), 44.7°(0.15), 45.6°(0.22), 46.9°(0.19), 47.9°(0.18), 55.1°(0.12), 61.3°(0.09), 62.4°(0.18), 63.1°(0.08), 68.2°(0.12), 70.0°(... | JVASP-117813 | 10.43 10.43 10.43
153 37 154
Rb 0.162 -0.000 0.162
Rb 0.838 -0.000 0.838
In 0.500 0.000 0.500
Br 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AlMo4S8.
The XRD pattern shows main peaks at: 15.7°(1.0), 18.1°(0.17), 30.3°(0.48), 36.7°(0.78), 40.1°(0.11), 45.4°(0.31), 48.3°(0.48), 52.9°(0.47), 66.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34414 | 6.93 6.93 6.93
60 60 60
Al 0.004 0.004 0.004
Mo 0.402 0.402 0.811
Mo 0.402 0.402 0.402
Mo 0.811 0.402 0.402
Mo 0.402 0.811 0.402
S 0.638 0.638 0.638
S 0.102 0.638 0.638
S 0.638 0.102 0.638
S 0.138 0.601 0.138
S 0.138 0.138 0.138
S 0.138 0.138 0.601
S 0.601 0.138 0.138
S 0.638 0.638 0.102 |
Below is a description of a material. | The chemical formula is: Tm2ZnCu.
The XRD pattern shows main peaks at: 25.8°(0.22), 36.8°(1.0), 45.5°(0.06), 53.1°(0.19), 60.0°(0.09), 66.4°(0.38), 78.4°(0.12), 84.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79376 | 4.88 4.88 4.88
60 60 60
Tm 0.000 0.000 0.000
Tm 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Cu 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li3NbO4.
The XRD pattern shows main peaks at: 21.0°(0.3), 23.9°(1.0), 30.4°(0.24), 38.6°(0.18), 42.8°(0.16), 43.6°(0.33), 48.9°(0.13), 50.3°(0.26), 53.5°(0.08), 59.0°(0.09), 59.6°(0.11), 62.8°(0.18), 63.3°(0.1), 76.2°(0.07), 79.5°(0.07).
Generate atomic structure description with lattice length... | JVASP-92218 | 5.88 7.81 5.14
29 55 41
Li 0.250 0.500 0.000
Li 0.750 0.500 0.000
Li 0.500 0.000 0.000
Nb 0.000 0.000 0.000
O 0.231 0.000 0.538
O 0.769 -0.000 0.462
O 0.500 0.500 0.500
O -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TlCu2S2.
The XRD pattern shows main peaks at: 24.4°(0.61), 26.4°(0.42), 30.8°(1.0), 33.4°(0.1), 36.0°(0.99), 41.0°(0.3), 48.0°(0.32), 53.1°(0.46), 54.3°(0.1), 55.6°(0.21), 58.1°(0.33), 70.2°(0.1), 75.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-12872 | 3.79 3.79 7.27
105 105 90
Tl 0.000 0.000 0.000
Cu 0.250 0.750 0.500
Cu 0.750 0.250 0.500
S 0.646 0.646 0.292
S 0.354 0.354 0.708 |
Below is a description of a material. | The chemical formula is: Li3CuS2.
The XRD pattern shows main peaks at: 15.8°(0.56), 17.5°(1.0), 26.8°(0.9), 28.6°(0.45), 29.8°(0.6), 33.9°(0.26), 34.7°(0.44), 35.4°(0.24), 41.8°(0.47), 43.4°(0.15), 45.5°(0.52), 46.9°(0.27), 48.8°(0.23), 55.3°(0.33), 58.2°(0.3), 61.8°(0.1), 65.8°(0.07), 66.9°(0.06).
Generate atomic stru... | JVASP-139827 | 6.96 6.96 6.96
131 128 72
Li 0.985 0.235 0.750
Li 0.485 0.235 0.250
Li 0.750 0.500 0.250
Li 0.250 0.500 0.750
Li 0.515 0.765 0.750
Li 0.015 0.765 0.250
Cu 0.500 0.000 0.500
Cu 0.000 0.000 0.000
S 0.866 0.141 0.276
S 0.366 0.590 0.224
S 0.634 0.410 0.776
S 0.134 0.859 0.724 |
Below is a description of a material. | The chemical formula is: Sm2AlCd.
The XRD pattern shows main peaks at: 20.6°(0.09), 23.8°(0.15), 33.9°(1.0), 48.7°(0.18), 54.9°(0.07), 60.7°(0.33), 71.3°(0.11), 81.4°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37234 | 5.29 5.29 5.29
60 60 60
Sm 0.000 0.000 0.000
Sm 0.500 0.500 0.500
Al 0.250 0.250 0.250
Cd 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MoW3Se6S2.
The XRD pattern shows main peaks at: 2.5°(1.0), 12.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28628 | 3.29 3.29 35.05
90 90 119
Mo 0.333 0.667 0.097
W 0.333 0.667 0.469
W 0.667 0.333 0.279
W 0.667 0.333 0.658
Se 0.333 0.667 0.328
Se 0.333 0.667 0.707
Se 0.667 0.333 0.420
Se 0.667 0.333 0.517
Se 0.333 0.667 0.231
Se 0.333 0.667 0.610
S 0.667 0.333 0.053
S 0.667 0.333 0.141 |
Below is a description of a material. | The chemical formula is: LiH2N.
The XRD pattern shows main peaks at: 31.0°(1.0), 34.9°(0.07), 36.4°(0.11), 51.3°(0.27), 52.4°(0.12), 60.2°(0.06), 62.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12554 | 4.94 4.94 6.21
113 113 90
Li 0.250 0.750 0.500
Li 0.008 0.508 0.015
Li 0.492 0.992 0.985
Li 0.000 0.000 0.000
H 0.704 0.793 0.250
H 0.543 0.296 0.750
H 0.207 0.454 0.750
H 0.546 0.457 0.250
H 0.963 0.084 0.384
H 0.421 0.300 0.384
H 0.916 0.579 0.616
H 0.700 0.037 0.616
N 0.349 0.361 0.233
N 0.129 0.651 0.767
N 0.639 0.... |
Below is a description of a material. | The chemical formula is: LiY2Co.
The XRD pattern shows main peaks at: 23.1°(1.0), 25.5°(0.06), 29.5°(0.29), 33.3°(0.44), 33.5°(0.44), 35.3°(0.16), 37.7°(0.29), 39.4°(0.07), 44.0°(0.28), 45.3°(0.19), 56.0°(0.1), 57.5°(0.23), 61.4°(0.1), 74.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-77055 | 15.37 7.43 7.43
31 19 19
Li 0.000 0.000 0.000
Y 0.843 0.812 0.812
Y 0.157 0.188 0.188
Co 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: ScSb5.
The XRD pattern shows main peaks at: 29.0°(1.0), 41.3°(0.36), 41.7°(0.38), 51.6°(0.2), 60.2°(0.11), 68.4°(0.16), 75.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124696 | 4.33 4.33 10.75
90 90 120
Sc 0.000 0.000 0.250
Sb 0.667 0.333 0.096
Sb 0.667 0.333 0.580
Sb 0.333 0.667 0.404
Sb 0.333 0.667 0.920
Sb 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: NaGaAs.
The XRD pattern shows main peaks at: 15.1°(0.6), 23.2°(0.08), 30.5°(0.52), 31.8°(0.8), 34.2°(0.16), 44.6°(1.0), 46.4°(0.1), 47.4°(0.06), 55.0°(0.35), 56.6°(0.1), 57.4°(0.07), 63.4°(0.1), 66.4°(0.06), 72.7°(0.14), 74.1°(0.07), 74.8°(0.08), 80.8°(0.11), 82.2°(0.13), 88.8°(0.05).
Generate ... | JVASP-139673 | 4.06 6.21 2.93
90 90 70
Na 0.087 0.452 0.000
Ga -0.222 0.072 0.000
As 0.407 -0.186 0.000 |
Below is a description of a material. | The chemical formula is: NaCeS2.
The XRD pattern shows main peaks at: 13.4°(0.7), 25.5°(0.38), 26.6°(0.24), 31.0°(1.0), 33.9°(0.17), 40.8°(0.14), 44.1°(0.37), 44.6°(0.37), 46.3°(0.18), 54.9°(0.19), 55.7°(0.06), 64.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110559 | 7.02 7.02 7.02
34 34 34
Na 0.500 0.500 0.500
Ce 0.000 0.000 0.000
S 0.255 0.255 0.255
S 0.745 0.745 0.745 |
Below is a description of a material. | The chemical formula is: Tm3Al.
The XRD pattern shows main peaks at: 22.9°(0.26), 26.7°(0.09), 31.0°(0.22), 34.3°(0.23), 35.5°(1.0), 46.8°(0.14), 55.1°(0.17), 62.2°(0.18), 66.5°(0.2), 67.2°(0.14), 87.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110879 | 6.67 6.67 5.23
90 90 120
Tm 0.827 0.173 0.750
Tm 0.346 0.173 0.750
Tm 0.827 0.654 0.750
Tm 0.173 0.827 0.250
Tm 0.654 0.827 0.250
Tm 0.173 0.346 0.250
Al 0.667 0.333 0.250
Al 0.333 0.667 0.750 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.