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: MnSCl.
The XRD pattern shows main peaks at: 22.5°(0.08), 23.1°(1.0), 32.5°(0.07), 39.6°(0.61), 46.3°(0.81), 47.3°(0.13), 63.3°(0.3), 71.8°(0.09), 76.5°(0.15), 85.2°(0.06), 87.3°(0.12), 89.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134535 | 4.56 4.56 3.84
90 90 119
Mn 0.333 0.667 0.000
S 0.667 0.333 0.000
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Eu2MgH6.
The XRD pattern shows main peaks at: 18.7°(0.37), 30.7°(1.0), 32.6°(0.63), 37.9°(0.07), 45.4°(0.35), 49.5°(0.05), 53.4°(0.07), 57.1°(0.32), 58.2°(0.12), 60.6°(0.15), 68.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85706 | 5.49 5.49 3.68
90 90 120
Eu 0.667 0.333 0.737
Eu 0.333 0.667 0.263
Mg 0.000 0.000 0.000
H 0.629 0.814 0.759
H 0.186 0.371 0.759
H 0.186 0.814 0.759
H 0.371 0.186 0.241
H 0.814 0.629 0.241
H 0.814 0.186 0.241 |
Below is a description of a material. | The chemical formula is: La3Os2O10.
The XRD pattern shows main peaks at: 16.6°(0.2), 18.0°(0.44), 22.1°(0.19), 25.2°(0.34), 26.4°(1.0), 28.6°(0.73), 31.9°(0.86), 33.9°(0.22), 36.5°(0.2), 37.8°(0.24), 39.5°(0.28), 41.0°(0.3), 43.4°(0.15), 45.1°(0.32), 45.7°(0.15), 46.3°(0.18), 47.8°(0.17), 51.4°(0.15), 54.3°(0.24), 56.1... | JVASP-154356 | 5.64 5.64 6.95
72 72 90
La 0.500 0.500 -0.000
La 0.242 0.758 0.500
La 0.758 0.242 0.500
Os 0.133 0.133 0.822
Os 0.867 0.867 0.178
O 0.858 0.858 0.891
O 0.142 0.142 0.109
O 0.379 0.901 0.789
O 0.099 0.621 0.211
O 0.621 0.099 0.211
O 0.901 0.379 0.789
O 0.405 0.405 0.716
O 0.595 0.595 0.284
O 0.177 0.177 0.520
O 0.823 0.... |
Below is a description of a material. | The chemical formula is: Fe4O7F.
The XRD pattern shows main peaks at: 28.9°(0.92), 29.6°(0.92), 37.6°(1.0), 41.8°(0.19), 43.0°(0.14), 43.5°(0.13), 57.1°(0.55), 57.9°(0.54), 59.8°(0.15), 61.4°(0.15), 65.0°(0.14), 68.1°(0.08), 69.2°(0.08), 72.7°(0.11), 73.0°(0.1), 73.6°(0.34), 80.4°(0.06).
Generate atomic structure descr... | JVASP-47979 | 4.32 5.19 5.19
112 91 88
Fe 0.496 0.998 0.502
Fe 0.521 0.511 0.989
Fe 0.989 0.500 0.511
Fe 0.989 0.989 -0.000
O 0.804 0.655 0.845
O 0.804 0.149 0.351
O 0.697 0.155 0.849
O 0.697 0.651 0.345
O 0.305 0.847 0.151
O 0.305 0.349 0.653
O 0.193 0.845 0.655
F 0.199 0.350 0.150 |
Below is a description of a material. | The chemical formula is: BeTc2Ni.
The XRD pattern shows main peaks at: 13.7°(0.29), 32.9°(0.06), 35.8°(0.49), 42.1°(0.16), 43.5°(1.0), 47.2°(0.44), 57.2°(0.08), 65.1°(0.17), 69.0°(0.14), 77.2°(0.12), 80.3°(0.08), 82.9°(0.13), 84.2°(0.08), 85.2°(0.27).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-70907 | 2.72 2.72 6.44
90 90 90
Be 0.000 0.000 0.524
Tc 0.000 0.000 0.991
Tc 0.500 0.500 0.276
Ni 0.500 0.500 0.709 |
Below is a description of a material. | The chemical formula is: Dy2PdRh.
The XRD pattern shows main peaks at: 25.8°(0.05), 36.8°(1.0), 53.1°(0.19), 66.4°(0.37), 78.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107652 | 4.88 4.88 4.88
60 60 60
Dy 0.750 0.750 0.750
Dy 0.250 0.250 0.250
Pd 0.500 0.500 0.500
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BaNaP.
The XRD pattern shows main peaks at: 9.3°(1.0), 18.7°(0.3), 26.2°(0.72), 27.9°(0.35), 28.3°(0.23), 32.4°(0.32), 37.4°(0.28), 38.9°(0.4), 42.2°(0.15), 46.7°(0.11), 47.5°(0.21), 53.9°(0.08), 54.4°(0.08), 55.5°(0.08), 57.6°(0.06), 60.9°(0.12), 62.0°(0.11), 64.4°(0.08), 68.5°(0.15), 74.1°(0.... | JVASP-137981 | 3.40 3.40 9.47
90 90 90
Ba 0.000 0.000 0.049
Na 0.000 0.000 0.451
P 0.000 0.000 0.737 |
Below is a description of a material. | The chemical formula is: Be2TcIr.
The XRD pattern shows main peaks at: 27.4°(0.17), 31.8°(1.0), 45.6°(0.86), 54.0°(0.09), 56.6°(0.24), 66.4°(0.14), 75.5°(0.31), 84.3°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69566 | 3.98 3.98 3.98
120 120 89
Be 0.000 0.000 0.000
Be 0.500 0.500 0.000
Tc 0.750 0.250 0.500
Ir 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Na4VO4.
The XRD pattern shows main peaks at: 17.6°(0.51), 19.5°(0.3), 20.3°(0.28), 23.2°(0.31), 24.6°(0.23), 25.3°(0.18), 28.1°(0.16), 32.4°(0.27), 32.9°(0.12), 33.7°(1.0), 38.0°(0.82), 38.5°(0.77), 40.0°(0.8), 41.3°(0.16), 54.6°(0.13), 55.8°(0.37), 56.4°(0.11), 57.0°(0.47), 58.4°(0.11), 70.7°(... | JVASP-117426 | 5.73 5.73 8.66
80 70 68
Na 0.477 0.734 0.567
Na 0.948 0.239 0.604
Na 0.523 0.266 0.433
Na 0.052 0.761 0.396
Na 0.611 0.732 0.182
Na 0.758 0.244 0.012
Na 0.242 0.756 0.988
Na 0.389 0.268 0.818
V 0.843 0.720 0.756
V 0.157 0.280 0.244
O 0.701 0.974 0.624
O 0.163 0.523 0.638
O 0.837 0.477 0.362
O 0.299 0.026 0.376
O 0.365 ... |
Below is a description of a material. | The chemical formula is: NdAl3.
The XRD pattern shows main peaks at: 15.6°(0.2), 24.9°(0.92), 27.2°(0.45), 31.6°(0.24), 37.2°(1.0), 39.0°(0.21), 42.2°(0.14), 46.7°(0.23), 48.2°(0.27), 51.0°(0.13), 56.2°(0.18), 58.8°(0.11), 62.4°(0.22), 69.4°(0.21), 70.5°(0.17), 76.0°(0.11).
Generate atomic structure description with la... | JVASP-91946 | 4.62 6.55 6.55
119 90 90
Nd 0.750 0.667 0.333
Nd 0.250 0.333 0.667
Al 0.750 0.142 0.283
Al 0.750 0.141 0.859
Al 0.750 0.717 0.858
Al 0.250 0.858 0.717
Al 0.250 0.859 0.141
Al 0.250 0.283 0.142 |
Below is a description of a material. | The chemical formula is: RbPtSe2.
The XRD pattern shows main peaks at: 10.4°(1.0), 20.9°(0.52), 24.8°(0.12), 27.0°(0.95), 31.6°(0.24), 35.4°(0.86), 37.0°(0.21), 40.6°(0.58), 41.5°(0.36), 48.2°(0.31), 49.9°(0.15), 50.9°(0.31), 55.6°(0.16), 56.5°(0.15), 58.5°(0.22), 60.3°(0.11), 61.2°(0.15), 67.0°(0.24), 74.1°(0.1), 85.6... | JVASP-184855 | 3.59 3.59 8.48
90 90 90
Rb 0.500 0.500 0.604
Pt 0.000 0.000 0.062
Se 0.000 -0.000 0.354
Se 0.500 0.500 0.991 |
Below is a description of a material. | The chemical formula is: LiTe.
The XRD pattern shows main peaks at: 27.0°(1.0), 31.3°(0.57), 44.8°(0.45), 53.1°(0.45), 55.6°(0.14), 65.2°(0.07), 71.9°(0.17), 74.1°(0.2), 82.6°(0.15), 88.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121204 | 4.05 4.05 5.72
90 90 90
Li 0.000 0.000 0.250
Li 0.500 0.500 0.750
Te 0.000 0.000 0.750
Te 0.500 0.500 0.250 |
Below is a description of a material. | The chemical formula is: Tb2Tl.
The XRD pattern shows main peaks at: 26.7°(0.08), 33.2°(1.0), 43.1°(0.13), 47.5°(0.28), 55.1°(0.07), 59.3°(0.36), 65.8°(0.23), 69.7°(0.1), 79.3°(0.12), 85.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19940 | 5.39 5.39 6.67
90 90 120
Tb 0.000 0.000 0.000
Tb 0.000 0.000 0.500
Tb 0.333 0.667 0.750
Tb 0.667 0.333 0.250
Tl 0.333 0.667 0.250
Tl 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Li3Pt.
The XRD pattern shows main peaks at: 25.6°(1.0), 29.3°(0.17), 29.9°(0.33), 42.3°(0.34), 42.8°(0.15), 49.7°(0.17), 50.5°(0.33), 52.7°(0.13), 67.6°(0.14), 68.3°(0.06), 69.1°(0.07), 70.4°(0.06), 77.1°(0.06), 78.0°(0.11), 84.0°(0.08).
Generate atomic structure description with lattice length... | JVASP-38551 | 4.27 4.27 4.27
120 120 88
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Li 0.500 0.500 0.000
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgOs2W.
The XRD pattern shows main peaks at: 24.8°(0.19), 28.7°(0.11), 41.0°(1.0), 48.5°(0.09), 59.4°(0.17), 74.8°(0.34), 89.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190558 | 4.40 4.40 4.40
60 60 60
Mg 0.000 -0.000 0.000
Os 0.250 0.250 0.250
Os 0.750 0.750 0.750
W 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NbCl4O.
The XRD pattern shows main peaks at: 15.1°(0.93), 21.4°(0.24), 24.7°(1.0), 32.9°(0.38), 34.2°(0.83), 39.6°(0.16), 43.7°(0.1), 45.5°(0.35), 46.5°(0.05), 48.1°(0.09), 49.1°(0.3), 50.8°(0.35), 58.0°(0.28), 60.4°(0.11), 64.9°(0.17), 69.1°(0.18), 72.0°(0.07), 75.9°(0.07), 82.2°(0.09), 89.4°(... | JVASP-138628 | 6.20 6.20 6.20
95 95 142
Nb 0.009 0.009 -0.000
Cl 0.164 0.800 0.816
Cl -0.016 0.348 0.184
Cl 0.348 0.164 0.364
Cl 0.800 -0.016 0.636
O 0.556 0.556 -0.000 |
Below is a description of a material. | The chemical formula is: LuMg.
The XRD pattern shows main peaks at: 24.1°(0.62), 34.3°(1.0), 42.3°(0.21), 49.3°(0.17), 55.6°(0.25), 61.4°(0.38), 72.2°(0.11), 77.4°(0.14), 82.5°(0.15), 87.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20427 | 3.70 3.70 3.70
90 90 90
Lu 0.500 0.500 0.500
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sr2ZnCu2S2O2.
The XRD pattern shows main peaks at: 20.0°(0.12), 30.2°(0.07), 31.4°(0.15), 33.0°(0.57), 33.6°(1.0), 37.5°(0.56), 40.6°(0.06), 42.1°(0.25), 45.0°(0.64), 57.3°(0.38), 61.5°(0.17), 65.6°(0.17), 80.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordina... | JVASP-8368 | 4.03 4.03 9.33
102 102 90
Sr 0.592 0.592 0.184
Sr 0.408 0.408 0.816
Zn 0.000 0.000 0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
S 0.828 0.828 0.655
S 0.172 0.172 0.345
O 0.500 -0.000 -0.000
O -0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Al2CuO4.
The XRD pattern shows main peaks at: 31.0°(0.76), 36.6°(1.0), 55.2°(0.26), 58.9°(0.39), 64.7°(0.5).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12808 | 5.76 5.76 5.76
60 60 60
Al 0.500 0.000 0.500
Al -0.000 0.500 0.500
Al 0.500 0.500 -0.000
Al 0.500 0.500 0.500
Cu 0.125 0.125 0.125
Cu 0.875 0.875 0.875
O 0.735 0.735 0.735
O 0.265 0.265 0.706
O 0.265 0.706 0.265
O 0.706 0.265 0.265
O 0.735 0.294 0.735
O 0.294 0.735 0.735
O 0.265 0.265 0.265
O 0.735 0.735 0.294 |
Below is a description of a material. | The chemical formula is: VIn2Br6.
The XRD pattern shows main peaks at: 24.7°(0.05), 30.4°(1.0), 35.3°(0.68), 50.8°(0.43), 60.3°(0.4), 63.3°(0.15), 74.6°(0.07), 82.7°(0.08), 85.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155318 | 7.20 7.20 7.20
120 120 59
V 0.000 0.000 0.000
In 0.750 0.750 0.250
In 0.250 0.250 0.750
Br 0.756 0.244 0.244
Br 0.244 0.244 0.244
Br 0.244 0.756 0.244
Br 0.756 0.756 0.756
Br 0.756 0.244 0.756
Br 0.244 0.756 0.756 |
Below is a description of a material. | The chemical formula is: HAuO2.
The XRD pattern shows main peaks at: 22.9°(0.68), 25.6°(1.0), 34.6°(0.73), 36.6°(0.63), 43.6°(0.56), 46.7°(0.15), 52.7°(0.22), 54.0°(0.3), 58.2°(0.24), 59.5°(0.23), 60.7°(0.26), 64.6°(0.28), 73.0°(0.15), 77.8°(0.07), 78.8°(0.26), 82.3°(0.09), 84.5°(0.09), 88.0°(0.07), 89.2°(0.09).
Genera... | JVASP-113752 | 3.47 3.47 3.89
90 90 90
H 0.500 0.500 0.669
Au 0.000 0.000 0.959
O 0.000 0.000 0.459
O 0.500 0.500 0.924 |
Below is a description of a material. | The chemical formula is: NdHgAu2.
The XRD pattern shows main peaks at: 35.6°(1.0), 51.2°(0.19), 63.9°(0.38), 75.3°(0.12), 86.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103623 | 5.05 5.05 5.05
60 60 60
Nd 0.000 0.000 0.000
Hg 0.500 0.500 0.500
Au 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HoAs3.
The XRD pattern shows main peaks at: 17.0°(0.15), 23.6°(0.1), 29.7°(0.07), 32.7°(0.36), 34.5°(0.21), 38.3°(1.0), 48.2°(0.17), 61.7°(0.15), 62.1°(0.24), 71.6°(0.2), 75.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111270 | 6.01 6.01 5.48
90 90 120
Ho 0.333 0.667 0.750
Ho 0.667 0.333 0.250
As 0.182 0.364 0.250
As 0.636 0.818 0.250
As 0.182 0.818 0.250
As 0.818 0.636 0.750
As 0.364 0.182 0.750
As 0.818 0.182 0.750 |
Below is a description of a material. | The chemical formula is: LiFeF4.
The XRD pattern shows main peaks at: 19.2°(1.0), 26.7°(0.37), 27.8°(0.31), 29.1°(0.16), 35.1°(0.21), 39.9°(0.64), 44.5°(0.28), 49.4°(0.11), 52.8°(0.28), 54.0°(0.2), 55.1°(0.08), 57.4°(0.09), 60.4°(0.1), 63.5°(0.07), 68.1°(0.21), 72.2°(0.11), 78.0°(0.08).
Generate atomic structure descri... | JVASP-102848 | 4.63 4.63 3.07
90 90 92
Li 0.000 0.000 0.500
Fe 0.500 0.500 0.000
F 0.794 0.794 0.000
F 0.694 0.306 0.500
F 0.206 0.206 0.000
F 0.306 0.694 0.500 |
Below is a description of a material. | The chemical formula is: Ti2AlCo.
The XRD pattern shows main peaks at: 25.2°(0.05), 41.7°(1.0), 60.5°(0.15), 76.2°(0.26).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79511 | 4.33 4.33 4.33
60 60 60
Ti 0.000 0.000 0.000
Ti 0.750 0.750 0.750
Al 0.250 0.250 0.250
Co 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Ti2VS4.
The XRD pattern shows main peaks at: 15.3°(0.24), 16.7°(0.46), 27.5°(0.24), 29.8°(0.15), 30.4°(0.3), 34.1°(0.98), 35.3°(0.16), 41.1°(0.11), 43.2°(0.39), 43.7°(1.0), 46.7°(0.11), 53.3°(0.6), 54.3°(0.31), 57.2°(0.16), 64.3°(0.17), 65.5°(0.1), 71.8°(0.15), 72.2°(0.13), 87.7°(0.13), 89.0°(0... | JVASP-35522 | 3.38 6.00 6.71
115 104 90
Ti 0.255 0.278 0.511
Ti 0.745 0.722 0.489
V 0.000 0.000 0.000
S 0.117 0.447 0.234
S 0.883 0.553 0.766
S 0.372 0.036 0.744
S 0.628 0.964 0.256 |
Below is a description of a material. | The chemical formula is: Pr3Ag.
The XRD pattern shows main peaks at: 31.5°(1.0), 34.7°(0.2), 37.5°(0.34), 52.0°(0.26), 54.1°(0.11), 60.2°(0.16), 64.0°(0.25), 65.8°(0.11), 85.2°(0.18), 88.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38397 | 6.19 6.19 6.19
134 134 66
Pr 0.750 0.250 0.500
Pr 0.250 0.750 0.500
Pr 0.500 0.500 -0.000
Ag 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ScMoO.
The XRD pattern shows main peaks at: 15.9°(0.08), 31.4°(0.22), 32.0°(0.34), 35.3°(1.0), 45.4°(0.14), 55.9°(0.18), 59.2°(0.2), 65.9°(0.21), 67.9°(0.13), 85.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183317 | 3.29 3.29 5.59
90 90 119
Sc 0.667 0.333 0.500
Mo 0.000 0.000 -0.000
O 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: SmMn2Ni3.
The XRD pattern shows main peaks at: 30.5°(0.6), 35.2°(0.3), 40.8°(0.43), 42.3°(1.0), 46.4°(0.25), 47.2°(0.07), 59.5°(0.13), 60.2°(0.17), 63.5°(0.23), 68.0°(0.23), 74.3°(0.16), 83.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107289 | 5.10 5.10 3.92
90 90 120
Sm 0.000 0.000 0.000
Mn 0.667 0.333 0.000
Mn 0.333 0.667 0.000
Ni 0.500 0.500 0.500
Ni 0.500 0.000 0.500
Ni -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ScAlAu2.
The XRD pattern shows main peaks at: 27.1°(0.61), 38.7°(1.0), 47.8°(0.17), 55.8°(0.17), 63.1°(0.24), 70.0°(0.36), 82.9°(0.12), 89.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16356 | 4.66 4.66 4.66
59 60 59
Sc 0.500 0.500 0.500
Al 0.000 0.000 0.000
Au 0.250 0.250 0.250
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ru3HPt.
The XRD pattern shows main peaks at: 22.8°(0.1), 32.5°(0.08), 40.0°(1.0), 46.6°(0.5), 68.0°(0.33), 81.9°(0.39), 86.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186957 | 3.90 3.90 3.90
90 90 90
Ru 0.000 0.500 0.000
Ru 0.000 0.000 0.500
Ru 0.500 0.000 0.000
Pt 0.500 0.500 0.500
H 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KTa2Be.
The XRD pattern shows main peaks at: 22.9°(0.69), 37.8°(1.0), 44.6°(0.38), 54.5°(0.17), 59.9°(0.15), 68.2°(0.36), 73.0°(0.12), 80.7°(0.11), 85.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-68296 | 4.76 4.76 4.76
120 120 89
K 0.750 0.250 0.500
Ta 0.000 0.000 0.000
Ta 0.250 0.750 0.500
Be 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Tm3Sc.
The XRD pattern shows main peaks at: 22.2°(0.15), 25.7°(0.07), 29.8°(0.23), 33.2°(0.22), 34.2°(1.0), 45.2°(0.15), 52.8°(0.18), 60.0°(0.2), 63.9°(0.21), 64.5°(0.14), 84.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103638 | 6.93 6.93 5.39
90 90 120
Tm 0.169 0.831 0.250
Tm 0.662 0.831 0.250
Tm 0.169 0.338 0.250
Tm 0.831 0.169 0.750
Tm 0.338 0.169 0.750
Tm 0.831 0.662 0.750
Sc 0.333 0.667 0.750
Sc 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: Li2MnCoO4.
The XRD pattern shows main peaks at: 19.0°(1.0), 37.0°(0.26), 38.5°(0.1), 44.9°(0.57), 49.3°(0.08), 59.4°(0.14), 65.3°(0.24), 68.7°(0.09), 82.5°(0.05), 83.2°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105589 | 2.84 4.96 4.96
70 90 90
Li 0.500 0.500 -0.000
Li 0.000 0.000 0.000
Mn 0.500 0.000 0.500
Co -0.000 0.500 0.500
O 0.000 0.757 0.725
O 1.000 0.243 0.275
O 0.500 0.258 0.721
O 0.500 0.742 0.279 |
Below is a description of a material. | The chemical formula is: BaFe2S4.
The XRD pattern shows main peaks at: 21.1°(0.38), 23.6°(0.61), 31.9°(1.0), 33.7°(0.31), 35.4°(0.05), 37.8°(0.09), 39.4°(0.33), 48.4°(0.08), 52.7°(0.58), 54.5°(0.27), 61.4°(0.12), 64.6°(0.21), 80.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-53439 | 5.07 5.90 5.90
79 64 64
Ba 0.986 -0.000 -0.000
Fe 0.236 0.500 0.500
Fe 0.736 0.500 0.500
S 0.184 0.414 0.191
S 0.374 0.809 0.414
S 0.598 0.191 0.586
S 0.788 0.586 0.809 |
Below is a description of a material. | The chemical formula is: Mn2OsRu.
The XRD pattern shows main peaks at: 26.3°(0.11), 30.4°(0.28), 43.5°(1.0), 51.6°(0.06), 54.0°(0.08), 63.3°(0.17), 71.8°(0.11), 80.0°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156814 | 4.16 4.16 4.16
60 60 60
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.500
Os 0.250 0.250 0.250
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ac2NiGe.
The XRD pattern shows main peaks at: 23.4°(0.3), 33.3°(1.0), 41.1°(0.09), 47.8°(0.18), 53.8°(0.14), 59.5°(0.36), 69.9°(0.12), 74.8°(0.07), 79.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79128 | 5.39 5.39 5.39
60 60 60
Ac 0.500 0.500 0.500
Ac 0.000 0.000 0.000
Ni 0.750 0.750 0.750
Ge 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: MgScSe.
The XRD pattern shows main peaks at: 20.6°(0.39), 25.2°(0.87), 32.8°(0.25), 36.1°(0.91), 44.6°(1.0), 51.7°(0.11), 64.7°(0.33), 70.9°(0.24), 76.7°(0.1), 82.2°(0.16), 87.6°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-135451 | 4.97 4.97 3.53
90 90 120
Mg 0.000 0.000 0.000
Sc 0.333 0.667 0.000
Se 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Lu6MnBi2.
The XRD pattern shows main peaks at: 21.4°(0.07), 30.9°(1.0), 33.5°(0.41), 33.9°(0.46), 38.6°(0.28), 40.5°(0.34), 43.6°(0.19), 56.4°(0.24), 59.7°(0.18), 62.1°(0.16), 65.2°(0.21), 72.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-111314 | 8.07 8.07 4.15
90 90 120
Lu 0.229 -0.000 0.500
Lu -0.000 0.229 0.500
Lu 0.771 0.771 0.500
Lu 0.620 0.000 0.000
Lu 0.000 0.620 0.000
Lu 0.380 0.380 0.000
Mn 0.000 0.000 0.000
Bi 0.333 0.667 0.500
Bi 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: RbPb2Br5.
The XRD pattern shows main peaks at: 12.3°(0.43), 30.1°(1.0), 33.5°(0.42), 37.5°(0.07), 39.3°(0.26), 45.5°(0.08), 48.2°(0.19), 50.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-12480 | 8.46 8.46 9.35
116 116 90
Rb 0.250 0.250 0.500
Rb 0.750 0.750 0.500
Pb 0.337 0.163 -0.000
Pb 0.163 0.663 -0.000
Pb 0.663 0.837 0.000
Pb 0.837 0.337 0.000
Br 0.209 0.709 0.725
Br 0.484 0.984 0.275
Br 0.000 0.000 0.000
Br 0.500 0.500 -0.000
Br 0.791 0.291 0.275
Br 0.984 0.791 0.275
Br 0.291 0.484 0.275
Br 0.016 0.209 0.7... |
Below is a description of a material. | The chemical formula is: Nb2Bi2PbO9.
The XRD pattern shows main peaks at: 14.3°(0.1), 28.8°(1.0), 31.9°(0.38), 36.2°(0.13), 39.8°(0.07), 45.7°(0.2), 49.0°(0.18), 55.0°(0.32), 59.7°(0.06), 66.7°(0.07), 74.2°(0.07), 75.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-12492 | 3.97 3.97 12.73
98 98 89
Nb 0.412 0.412 0.824
Nb 0.588 0.588 0.176
Bi 0.201 0.201 0.401
Bi 0.799 0.799 0.599
Pb 0.000 0.000 0.000
O 0.080 0.580 0.161
O 0.420 0.920 0.839
O 0.920 0.420 0.839
O 0.580 0.080 0.161
O 0.250 0.750 0.500
O 0.500 0.500 0.000
O 0.665 0.665 0.330
O 0.335 0.335 0.670
O 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Sr2Sc2B4O11.
The XRD pattern shows main peaks at: 20.1°(0.64), 22.4°(0.12), 26.2°(0.67), 29.9°(0.7), 30.2°(0.5), 31.7°(1.0), 33.5°(0.13), 34.2°(0.23), 35.1°(0.14), 35.5°(0.18), 36.1°(0.16), 38.3°(0.12), 41.4°(0.11), 42.5°(0.22), 43.0°(0.31), 43.6°(0.43), 44.5°(0.19), 51.3°(0.24), 53.3°(0.35), 5... | JVASP-98530 | 5.11 6.32 7.29
77 89 75
Sr 0.775 0.806 0.836
Sr 0.225 0.194 0.164
Sc 0.814 0.718 0.352
Sc 0.186 0.282 0.648
B 0.278 0.780 0.608
B 0.648 0.343 0.899
B 0.352 0.657 0.101
B 0.722 0.220 0.392
O 0.911 0.342 0.867
O 0.175 0.947 0.706
O 0.890 0.356 0.420
O 0.490 0.796 0.151
O 0.089 0.658 0.133
O 0.538 0.744 0.556
O 0.462 0.25... |
Below is a description of a material. | The chemical formula is: NiS2.
The XRD pattern shows main peaks at: 16.3°(1.0), 31.5°(0.36), 38.2°(0.89), 55.2°(0.54), 69.1°(0.18), 81.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9233 | 6.66 6.66 6.66
60 59 60
Ni 0.500 0.500 0.500
Ni -0.000 0.000 0.500
Ni 0.500 0.000 -0.000
Ni 0.500 -0.000 0.500
S 0.721 0.760 0.260
S 0.260 0.221 0.260
S 0.260 0.760 0.260
S 0.260 0.760 0.721
S 0.740 0.779 0.740
S 0.279 0.240 0.740
S 0.740 0.240 0.279
S 0.740 0.240 0.740 |
Below is a description of a material. | The chemical formula is: HfBe2Ru.
The XRD pattern shows main peaks at: 15.3°(1.0), 29.1°(0.07), 33.1°(0.89), 41.7°(0.46), 42.9°(0.73), 44.7°(0.26), 47.0°(0.11), 56.3°(0.09), 60.4°(0.15), 62.7°(0.1), 64.6°(0.17), 70.6°(0.19), 77.0°(0.28), 79.6°(0.11), 87.2°(0.06).
Generate atomic structure description with lattice lengt... | JVASP-74239 | 3.06 3.06 5.80
90 90 90
Hf 0.000 0.000 0.516
Be 0.000 0.000 0.003
Be 0.500 0.500 0.189
Ru 0.500 0.500 0.792 |
Below is a description of a material. | The chemical formula is: Te4Mo3S2.
The XRD pattern shows main peaks at: 10.8°(0.2), 12.4°(0.78), 13.1°(0.08), 20.6°(0.06), 22.8°(0.07), 25.0°(0.12), 28.4°(0.1), 30.1°(0.62), 30.9°(0.14), 32.8°(0.06), 35.7°(1.0), 39.6°(0.09), 44.1°(0.2), 53.3°(0.17), 53.8°(0.22), 66.0°(0.1).
Generate atomic structure description with la... | JVASP-33932 | 3.44 9.00 14.70
103 96 78
Te 0.576 0.234 0.386
Te 0.175 0.527 0.878
Te 0.831 0.447 0.109
Te 0.080 0.460 0.620
Te 0.502 0.887 0.891
Te 0.253 0.874 0.380
Te 0.158 0.806 0.122
Te 0.758 0.099 0.614
Mo 0.318 0.607 0.243
Mo 0.687 0.372 0.745
Mo 0.647 0.961 0.255
Mo 0.015 0.726 0.757
Mo 0.982 0.286 0.249
Mo 0.352 0.047 0.751
... |
Below is a description of a material. | The chemical formula is: CeScPd6.
The XRD pattern shows main peaks at: 38.3°(1.0), 44.4°(0.34), 64.8°(0.22), 77.6°(0.26), 81.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102779 | 4.08 4.08 8.11
90 90 90
Ce 0.000 0.000 0.000
Sc 0.000 0.000 0.500
Pd 0.500 0.500 0.000
Pd 0.500 0.500 0.500
Pd 0.500 0.000 0.258
Pd 0.500 0.000 0.742
Pd 0.000 0.500 0.258
Pd 0.000 0.500 0.742 |
Below is a description of a material. | The chemical formula is: Ag3Sn.
The XRD pattern shows main peaks at: 36.5°(1.0), 42.4°(0.48), 61.6°(0.32), 73.8°(0.37), 77.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123359 | 4.26 4.26 4.26
90 90 90
Ag 0.000 0.500 0.500
Ag 0.500 0.000 0.500
Ag 0.500 0.500 0.000
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrGa6Fe6.
The XRD pattern shows main peaks at: 33.8°(0.22), 36.2°(0.69), 36.9°(0.22), 42.3°(1.0), 42.7°(0.37), 43.3°(0.52), 45.5°(0.1), 47.5°(0.82), 48.4°(0.27), 64.9°(0.12), 69.1°(0.19), 76.4°(0.15), 76.9°(0.29), 78.7°(0.38).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-111612 | 6.49 6.49 6.49
134 99 97
Zr 0.000 0.000 0.000
Ga 0.330 0.000 0.330
Ga 0.670 -0.000 0.670
Ga 0.659 0.659 -0.000
Ga 0.341 0.341 0.000
Ga 0.175 0.675 0.500
Ga 0.825 0.325 0.500
Fe 0.756 0.500 0.256
Fe 0.244 0.500 0.744
Fe -0.000 0.000 0.500
Fe 0.000 0.500 0.000
Fe 0.500 0.000 0.000
Fe 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: InCuGeS4.
The XRD pattern shows main peaks at: 17.3°(0.07), 18.2°(0.26), 22.7°(0.13), 28.7°(1.0), 30.8°(0.09), 32.3°(0.07), 36.9°(0.1), 46.3°(0.22), 48.4°(0.35), 55.4°(0.29), 59.1°(0.11), 67.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-109734 | 6.44 6.44 6.44
129 129 74
In 0.500 0.500 0.000
Cu 0.000 0.000 0.000
Ge 0.750 0.250 0.500
S 0.374 0.370 0.470
S 0.900 0.904 0.530
S 0.630 0.100 0.004
S 0.096 0.626 0.996 |
Below is a description of a material. | The chemical formula is: Bi2S.
The XRD pattern shows main peaks at: 10.6°(0.28), 21.4°(0.25), 26.1°(1.0), 28.2°(0.14), 32.3°(0.27), 33.9°(0.34), 37.2°(0.43), 41.9°(0.49), 43.3°(0.19), 50.1°(0.29), 53.6°(0.15), 58.4°(0.07), 60.6°(0.19), 62.0°(0.12), 64.0°(0.15), 65.0°(0.12), 68.4°(0.08), 70.3°(0.24), 86.4°(0.1), 88.2°(0... | JVASP-138274 | 3.42 3.42 8.32
90 90 90
Bi 0.000 0.000 0.313
Bi 0.000 0.000 0.687
S 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sc2InAu.
The XRD pattern shows main peaks at: 12.4°(1.0), 24.0°(0.2), 24.9°(0.35), 33.0°(0.57), 35.4°(0.34), 39.3°(0.12), 41.8°(0.37), 47.4°(0.18), 49.1°(0.13), 54.2°(0.16), 69.2°(0.06), 78.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-81511 | 14.29 7.64 7.64
29 20 20
Sc 0.690 -0.000 -0.000
Sc 0.310 0.000 0.000
In 0.000 0.000 0.000
Au 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: CeMg2Sb2.
The XRD pattern shows main peaks at: 11.9°(0.22), 25.1°(1.0), 32.7°(0.73), 38.5°(0.56), 42.8°(0.33), 46.5°(0.2), 49.0°(0.06), 51.4°(0.2), 58.9°(0.12), 62.0°(0.15), 64.0°(0.15), 66.1°(0.18), 67.1°(0.09), 69.7°(0.1).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-156289 | 4.67 4.67 7.43
89 89 60
Ce 0.000 0.000 0.000
Mg 0.333 0.333 0.359
Mg 0.667 0.667 0.641
Sb 0.667 0.667 0.247
Sb 0.333 0.333 0.753 |
Below is a description of a material. | The chemical formula is: YTaBe2.
The XRD pattern shows main peaks at: 14.7°(0.28), 27.3°(1.0), 29.6°(0.42), 31.1°(0.15), 38.9°(0.45), 40.7°(0.85), 41.8°(0.08), 49.7°(0.42), 53.5°(0.05), 56.3°(0.15), 61.5°(0.06), 63.6°(0.19), 64.9°(0.18), 68.5°(0.16), 71.7°(0.31), 75.2°(0.12), 83.6°(0.05), 88.1°(0.08).
Generate atomic s... | JVASP-67411 | 3.27 3.27 6.03
90 90 90
Y 0.500 0.500 0.500
Ta 0.500 0.500 0.000
Be 0.000 0.000 0.815
Be 0.000 0.000 0.185 |
Below is a description of a material. | The chemical formula is: LuI.
The XRD pattern shows main peaks at: 27.7°(0.3), 33.6°(1.0), 38.0°(0.17), 47.6°(0.13), 48.9°(0.22), 60.7°(0.19), 63.6°(0.22), 65.9°(0.14), 81.6°(0.17), 86.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-132089 | 3.72 3.72 4.74
90 90 119
Lu 0.333 0.667 0.250
I 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: LiPr2Rh.
The XRD pattern shows main peaks at: 21.2°(0.15), 24.6°(0.25), 35.0°(1.0), 43.3°(0.07), 50.4°(0.19), 62.8°(0.35), 74.0°(0.11), 84.6°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99426 | 5.12 5.12 5.12
60 60 60
Li 0.500 0.500 0.500
Pr 0.250 0.250 0.250
Pr 0.750 0.750 0.750
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeTlTc4.
The XRD pattern shows main peaks at: 21.1°(0.27), 24.4°(0.26), 34.8°(0.21), 41.0°(1.0), 42.9°(0.42), 54.8°(0.07), 56.4°(0.1), 62.3°(0.09), 66.5°(0.28), 73.4°(0.21), 78.6°(0.05), 87.6°(0.11), 88.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-65311 | 5.16 5.16 5.16
60 60 60
Be 0.000 0.000 0.000
Tl 0.250 0.250 0.250
Tc 0.123 0.626 0.626
Tc 0.626 0.626 0.626
Tc 0.626 0.123 0.626
Tc 0.626 0.626 0.123 |
Below is a description of a material. | The chemical formula is: CrF2.
The XRD pattern shows main peaks at: 26.8°(1.0), 29.6°(0.31), 31.8°(0.3), 33.8°(0.08), 35.3°(0.2), 39.0°(0.1), 43.0°(0.06), 47.5°(0.22), 49.1°(0.15), 52.0°(0.33), 53.3°(0.15), 55.2°(0.21), 56.8°(0.08), 61.3°(0.06), 61.9°(0.08), 65.2°(0.13), 68.6°(0.06), 74.7°(0.08).
Generate atomic struct... | JVASP-26529 | 3.55 4.70 5.54
90 121 90
Cr 0.000 0.500 0.500
Cr 0.000 0.000 0.000
F 0.751 0.803 0.206
F 0.249 0.303 0.294
F 0.751 0.697 0.706
F 0.249 0.197 0.794 |
Below is a description of a material. | The chemical formula is: LiCaSn.
The XRD pattern shows main peaks at: 21.0°(0.16), 22.6°(1.0), 24.9°(0.14), 26.8°(0.33), 32.8°(0.83), 36.8°(0.76), 39.8°(0.35), 43.6°(0.18), 44.9°(0.19), 50.1°(0.25), 55.3°(0.14), 63.8°(0.23), 66.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-170830 | 4.88 4.88 10.74
90 90 120
Li 0.333 0.667 0.799
Li 0.667 0.333 0.495
Li 0.333 0.667 0.191
Ca 0.000 0.000 0.662
Ca 0.000 0.000 0.328
Ca -0.000 0.000 0.995
Sn 0.667 0.333 0.845
Sn 0.667 0.333 0.145
Sn 0.333 0.667 0.495 |
Below is a description of a material. | The chemical formula is: Pt.
The XRD pattern shows main peaks at: 39.2°(1.0), 45.6°(0.51), 66.5°(0.35), 80.0°(0.41), 84.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-972 | 2.81 2.81 2.81
60 60 59
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbCaCl3.
The XRD pattern shows main peaks at: 23.5°(0.74), 28.9°(0.83), 33.5°(1.0), 41.4°(0.32), 48.1°(0.64), 59.9°(0.21), 70.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36893 | 5.35 5.35 5.35
90 90 89
Rb 0.989 -0.000 0.998
Ca 0.488 0.500 0.498
Cl 0.488 0.000 0.498
Cl 0.988 0.500 0.498
Cl 0.488 0.500 0.998 |
Below is a description of a material. | The chemical formula is: USi2.
The XRD pattern shows main peaks at: 23.2°(0.18), 25.3°(0.6), 34.6°(1.0), 44.7°(0.27), 47.3°(0.08), 50.9°(0.16), 52.0°(0.09), 54.5°(0.15), 57.7°(0.23), 67.1°(0.19), 70.9°(0.08), 73.0°(0.07), 75.8°(0.21), 79.7°(0.1), 89.8°(0.09).
Generate atomic structure description with lattice lengths, ... | JVASP-4319 | 4.06 4.06 3.84
90 90 120
U 0.000 0.000 0.000
Si 0.667 0.333 0.500
Si 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: NbCl.
The XRD pattern shows main peaks at: 28.0°(0.29), 40.0°(1.0), 49.6°(0.09), 57.9°(0.17), 65.6°(0.1), 72.7°(0.32), 86.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129338 | 3.18 3.18 3.18
90 90 90
Nb 0.500 0.500 0.500
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaNdCoO4.
The XRD pattern shows main peaks at: 14.6°(0.41), 25.0°(0.43), 29.5°(0.09), 32.7°(1.0), 34.0°(0.69), 37.2°(0.15), 44.7°(0.24), 45.7°(0.28), 48.9°(0.38), 57.6°(0.18), 60.1°(0.36), 68.6°(0.15), 71.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-106120 | 6.60 6.60 6.60
147 147 47
Ca 0.640 0.640 0.000
Nd 0.360 0.360 -0.000
Co 0.012 0.012 -0.000
O 0.831 0.831 -0.000
O 0.168 0.168 0.000
O 0.995 0.495 0.500
O 0.495 0.995 0.500 |
Below is a description of a material. | The chemical formula is: Sc2BeRh.
The XRD pattern shows main peaks at: 12.6°(0.73), 25.3°(0.15), 28.9°(0.38), 31.7°(0.57), 38.3°(0.24), 38.8°(1.0), 41.4°(0.6), 43.4°(0.15), 48.7°(0.31), 49.1°(0.11), 57.6°(0.25), 60.0°(0.17), 61.5°(0.05), 66.2°(0.06), 67.9°(0.07), 68.4°(0.07), 69.4°(0.12), 73.8°(0.3), 80.8°(0.12), 81.2°... | JVASP-71092 | 3.09 3.09 7.05
90 90 90
Sc 0.000 0.000 0.949
Sc 0.500 0.500 0.304
Be 0.000 0.000 0.557
Rh 0.500 0.500 0.690 |
Below is a description of a material. | The chemical formula is: PmDyRu2.
The XRD pattern shows main peaks at: 37.0°(1.0), 53.4°(0.18), 66.7°(0.34), 78.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37796 | 4.85 4.85 4.85
60 60 60
Pm 0.750 0.750 0.750
Dy 0.250 0.250 0.250
Ru 0.500 0.500 0.500
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaN.
The XRD pattern shows main peaks at: 32.5°(1.0), 46.6°(0.95), 58.0°(0.27), 68.1°(0.15), 77.5°(0.35), 86.6°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128262 | 2.75 2.75 2.75
90 90 90
Ta 0.000 0.000 0.000
N 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: HgI.
The XRD pattern shows main peaks at: 17.5°(0.05), 25.2°(1.0), 29.4°(0.34), 35.5°(0.19), 36.4°(0.18), 38.9°(0.32), 39.3°(0.31), 46.4°(0.09), 47.0°(0.08), 47.5°(0.18), 51.7°(0.13), 57.7°(0.1), 59.1°(0.09), 60.4°(0.08), 60.9°(0.11), 65.7°(0.07), 66.5°(0.07), 67.3°(0.12), 73.2°(0.07), 88.2°(0.... | JVASP-131024 | 5.06 4.93 3.04
90 90 90
Hg 0.500 0.500 -0.000
I 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiAgF2.
The XRD pattern shows main peaks at: 21.4°(1.0), 33.6°(0.5), 35.3°(0.59), 38.7°(0.57), 39.6°(0.21), 44.6°(0.29), 53.4°(0.29), 55.8°(0.17), 56.5°(0.25), 66.8°(0.14), 68.0°(0.12), 70.6°(0.13), 82.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-50804 | 4.66 5.62 4.66
65 90 114
Li 0.250 0.500 0.250
Li 0.500 0.000 0.500
Ag 0.000 0.000 0.000
Ag 0.750 0.500 0.750
F 0.043 0.086 0.457
F 0.293 0.586 0.707
F 0.457 0.914 0.043
F 0.707 0.414 0.293 |
Below is a description of a material. | The chemical formula is: DyFeSi.
The XRD pattern shows main peaks at: 26.0°(1.0), 27.7°(0.06), 31.3°(0.37), 34.3°(0.43), 35.6°(0.61), 42.2°(0.63), 44.9°(0.45), 52.6°(0.3), 53.4°(0.06), 58.5°(0.27), 61.9°(0.2), 63.1°(0.18), 65.3°(0.16), 74.2°(0.07), 75.9°(0.08), 76.7°(0.06), 79.7°(0.21), 80.9°(0.22), 81.9°(0.08), 88.5°(... | JVASP-18275 | 4.04 4.04 6.45
90 90 90
Dy 0.000 0.500 0.684
Dy 0.500 0.000 0.316
Fe 0.500 0.500 0.000
Fe 0.000 0.000 0.000
Si 0.500 0.000 0.818
Si 0.000 0.500 0.182 |
Below is a description of a material. | The chemical formula is: Mg3Si2.
The XRD pattern shows main peaks at: 22.8°(0.33), 23.6°(0.11), 33.7°(0.82), 35.6°(1.0), 37.6°(0.84), 37.9°(0.22), 38.9°(0.39), 40.5°(0.37), 41.1°(0.49), 41.9°(0.59), 46.5°(0.3), 48.9°(0.12), 55.8°(0.17), 56.4°(0.12), 59.9°(0.27), 64.4°(0.2), 71.1°(0.25), 73.4°(0.23), 79.1°(0.14), 89.4°(... | JVASP-99668 | 5.20 5.20 4.34
68 68 97
Mg 0.707 0.293 0.500
Mg 0.293 0.707 0.500
Mg 0.000 0.000 0.000
Si 0.706 0.706 0.768
Si 0.294 0.294 0.232 |
Below is a description of a material. | The chemical formula is: AsSF2.
The XRD pattern shows main peaks at: 19.5°(0.64), 23.7°(0.2), 30.9°(0.21), 33.8°(1.0), 39.3°(0.4), 46.7°(0.27), 48.5°(0.3), 53.0°(0.23), 58.7°(0.06), 61.1°(0.06), 64.4°(0.12), 69.6°(0.14), 71.1°(0.09), 71.7°(0.14), 74.5°(0.06), 81.1°(0.12), 81.6°(0.09), 84.4°(0.11).
Generate atomic struc... | JVASP-114428 | 3.75 3.75 4.55
90 90 90
As 0.500 0.500 0.786
S 0.000 0.000 0.727
F 0.000 0.000 0.109
F 0.500 0.500 0.388 |
Below is a description of a material. | The chemical formula is: Ba3InHg10.
The XRD pattern shows main peaks at: 17.5°(0.18), 23.1°(0.06), 29.1°(0.2), 29.9°(1.0), 31.3°(0.3), 31.7°(0.17), 33.6°(0.95), 35.0°(0.34), 39.3°(0.39), 39.8°(0.22), 45.1°(0.14), 49.3°(0.26), 58.2°(0.1), 70.6°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-166127 | 5.34 9.59 9.59
63 73 73
Ba -0.000 -0.000 -0.000
Ba 0.296 0.704 0.704
Ba 0.704 0.296 0.296
In -0.000 0.500 0.500
Hg 0.142 0.570 0.145
Hg 0.858 0.430 0.855
Hg 0.858 0.855 0.430
Hg 0.142 0.145 0.570
Hg 0.341 0.303 0.016
Hg 0.659 0.697 0.984
Hg 0.659 0.984 0.697
Hg 0.341 0.016 0.303
Hg 0.500 0.322 0.678
Hg 0.500 0.678 0.32... |
Below is a description of a material. | The chemical formula is: NpCr2Ge2.
The XRD pattern shows main peaks at: 15.8°(0.26), 24.4°(0.28), 31.9°(0.1), 32.9°(0.38), 33.4°(1.0), 36.7°(0.95), 46.9°(0.5), 47.2°(0.45), 59.0°(0.37), 60.0°(0.15), 66.7°(0.07), 68.7°(0.34), 85.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-86674 | 3.85 3.85 6.23
107 107 90
Np 0.000 0.000 0.000
Cr 0.750 0.250 0.500
Cr 0.250 0.750 0.500
Ge 0.384 0.384 0.768
Ge 0.616 0.616 0.232 |
Below is a description of a material. | The chemical formula is: AlCrFeO4.
The XRD pattern shows main peaks at: 18.7°(0.11), 21.4°(0.05), 30.5°(0.62), 30.9°(0.3), 35.7°(1.0), 43.7°(0.26), 54.0°(0.1), 57.6°(0.28), 58.2°(0.26), 62.7°(0.16), 63.5°(0.62), 64.4°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121882 | 5.78 5.86 5.86
90 119 119
Al 0.750 0.375 0.625
Al 0.250 0.375 0.625
Cr 0.250 0.875 0.625
Cr 0.750 0.375 0.125
Fe 0.500 0.754 0.246
Fe -0.000 0.996 0.004
O 0.269 0.144 0.856
O 0.731 0.144 0.856
O 0.231 0.606 0.394
O 0.769 0.606 0.394
O 0.717 0.583 0.850
O 0.283 0.150 0.417
O 0.783 0.167 0.400
O 0.217 0.600 0.833 |
Below is a description of a material. | The chemical formula is: TiNi3.
The XRD pattern shows main peaks at: 43.6°(1.0), 50.8°(0.48), 74.7°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189817 | 5.08 5.08 5.08
60 60 60
Ti 0.750 0.750 0.750
Ti 0.250 0.250 0.250
Ni 0.750 0.250 0.250
Ni 0.250 0.250 0.750
Ni 0.250 0.750 0.250
Ni 0.750 0.250 0.750
Ni 0.250 0.750 0.750
Ni 0.750 0.750 0.250 |
Below is a description of a material. | The chemical formula is: DyLuTl2.
The XRD pattern shows main peaks at: 33.9°(1.0), 48.7°(0.18), 60.6°(0.36), 71.3°(0.12), 81.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102108 | 5.29 5.29 5.29
60 60 60
Dy 0.250 0.250 0.250
Lu 0.750 0.750 0.750
Tl 0.000 0.000 0.000
Tl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: FeCu2Sn.
The XRD pattern shows main peaks at: 25.1°(0.08), 41.5°(1.0), 60.1°(0.15), 75.7°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18131 | 4.35 4.35 4.35
60 60 60
Fe 0.500 0.500 0.500
Cu 0.250 0.250 0.250
Cu 0.750 0.750 0.750
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: KMg6Nb.
The XRD pattern shows main peaks at: 13.5°(0.29), 19.1°(0.21), 19.6°(0.09), 27.1°(0.1), 27.5°(0.15), 33.7°(1.0), 36.4°(0.11), 38.7°(0.33), 39.9°(0.16), 43.7°(0.05), 46.0°(0.06), 48.1°(0.08), 55.9°(0.09), 56.8°(0.19), 66.8°(0.1), 68.4°(0.11), 70.8°(0.09).
Generate atomic structure descri... | JVASP-93194 | 6.58 9.31 4.52
90 90 134
K 0.250 0.375 0.250
Mg 0.750 0.375 0.250
Mg 0.750 0.875 0.250
Mg 0.250 0.094 0.750
Mg 0.250 0.656 0.750
Mg 0.688 0.094 0.750
Mg 0.812 0.656 0.750
Nb 0.250 0.875 0.250 |
Below is a description of a material. | The chemical formula is: BaCdCl.
The XRD pattern shows main peaks at: 17.8°(0.32), 22.4°(0.65), 28.8°(0.21), 31.0°(0.94), 38.6°(1.0), 45.8°(0.1), 55.2°(0.17), 56.4°(0.31), 60.3°(0.27), 64.7°(0.1), 69.4°(0.17), 74.5°(0.13), 79.9°(0.12), 82.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-120852 | 5.77 5.77 3.96
90 90 120
Ba 0.000 0.000 0.000
Cd 0.333 0.667 0.000
Cl 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: MgPb5.
The XRD pattern shows main peaks at: 17.8°(0.09), 19.9°(0.06), 29.7°(0.23), 30.9°(0.27), 33.6°(1.0), 43.4°(0.18), 52.8°(0.18), 56.7°(0.22), 62.4°(0.23), 64.0°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-170890 | 6.01 6.01 6.75
116 63 120
Mg 0.833 0.500 0.500
Pb 0.333 0.663 0.000
Pb 0.670 0.337 -0.000
Pb 0.996 0.000 0.000
Pb 0.171 0.163 0.488
Pb 0.496 0.837 0.512 |
Below is a description of a material. | The chemical formula is: BeZnSi.
The XRD pattern shows main peaks at: 15.7°(0.52), 31.7°(0.2), 36.2°(0.29), 39.7°(1.0), 48.4°(0.11), 48.9°(0.45), 61.9°(0.13), 65.1°(0.16), 67.4°(0.06), 74.2°(0.09), 78.0°(0.12), 79.0°(0.13), 85.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-69899 | 2.87 2.87 5.64
90 90 119
Be 0.000 0.000 0.994
Zn 0.667 0.333 0.314
Si 0.333 0.667 0.691 |
Below is a description of a material. | The chemical formula is: As2S.
The XRD pattern shows main peaks at: 15.0°(0.46), 16.8°(1.0), 28.6°(0.6), 30.3°(0.13), 32.5°(0.13), 33.4°(0.41), 34.1°(0.24), 34.9°(0.48), 42.2°(0.12), 45.1°(0.22), 45.7°(0.42), 46.3°(0.17), 49.5°(0.12), 52.1°(0.09), 55.3°(0.24), 58.2°(0.16), 60.6°(0.12), 66.5°(0.08), 70.6°(0.11), 86.9°(0... | JVASP-139727 | 5.89 5.26 3.12
90 90 90
As 0.206 -0.024 0.000
As 0.794 -0.024 0.000
S 0.000 0.336 0.000 |
Below is a description of a material. | The chemical formula is: ThPdPb.
The XRD pattern shows main peaks at: 22.4°(0.11), 26.0°(0.46), 37.1°(1.0), 43.7°(0.05), 45.8°(0.15), 53.4°(0.2), 60.3°(0.2), 66.8°(0.4), 78.9°(0.13), 84.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156389 | 4.85 4.85 4.85
60 60 60
Th 0.750 0.750 0.750
Pd 0.000 0.000 0.000
Pb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Ag3Sb.
The XRD pattern shows main peaks at: 36.3°(1.0), 42.2°(0.44), 61.1°(0.29), 73.2°(0.35), 77.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123355 | 4.29 4.29 4.29
90 90 90
Ag 0.000 0.500 0.500
Ag 0.500 0.000 0.500
Ag 0.500 0.500 0.000
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgCoNi2C.
The XRD pattern shows main peaks at: 23.3°(0.12), 23.9°(0.08), 41.3°(1.0), 47.5°(0.36), 49.0°(0.17), 69.5°(0.12), 70.6°(0.21), 84.2°(0.22), 86.3°(0.11), 89.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192870 | 3.82 3.82 3.72
90 90 90
Ni 0.000 0.500 -0.000
Ni 0.500 -0.000 0.000
Mg 0.500 0.500 0.500
Co 0.000 -0.000 0.500
C 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: SiClF.
The XRD pattern shows main peaks at: 24.0°(0.15), 32.1°(0.75), 40.4°(0.07), 42.2°(1.0), 53.9°(0.93), 67.0°(0.07), 77.1°(0.14), 82.4°(0.24), 85.9°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136345 | 4.29 4.29 2.79
90 90 120
Si 0.667 0.333 0.000
Cl 0.000 0.000 0.000
F 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: HgBr2.
The XRD pattern shows main peaks at: 14.3°(0.58), 25.1°(0.17), 28.9°(1.0), 38.5°(0.66), 44.1°(0.37), 46.6°(0.17), 51.1°(0.19), 53.6°(0.2), 59.9°(0.14), 69.6°(0.05), 71.8°(0.11), 77.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-150449 | 7.10 7.12 6.21
89 90 119
Hg 0.000 -0.000 0.478
Hg 0.333 0.667 0.477
Hg 0.667 0.333 0.478
Br 0.667 0.000 0.218
Br 0.000 0.667 0.218
Br 0.334 0.333 0.218
Br 0.333 1.000 0.738
Br -0.000 0.333 0.738
Br 0.666 0.667 0.738 |
Below is a description of a material. | The chemical formula is: RbBa.
The XRD pattern shows main peaks at: 17.1°(0.05), 24.3°(1.0), 34.6°(0.21), 42.7°(0.47), 49.7°(0.15), 56.0°(0.2), 67.5°(0.23), 78.1°(0.11), 83.3°(0.07), 88.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128914 | 5.19 5.19 5.19
90 90 90
Rb 0.000 0.000 0.000
Ba 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: La2ZnIr.
The XRD pattern shows main peaks at: 21.0°(0.12), 34.7°(1.0), 40.9°(0.07), 49.8°(0.19), 62.1°(0.4), 73.1°(0.12), 83.5°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40238 | 5.18 5.18 5.18
60 60 60
La 0.000 0.000 0.000
La 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: CaY2PbC.
The XRD pattern shows main peaks at: 18.1°(0.23), 25.6°(0.28), 31.5°(1.0), 36.3°(0.19), 36.6°(0.38), 40.8°(0.07), 45.2°(0.13), 52.5°(0.27), 56.0°(0.06), 62.3°(0.14), 62.7°(0.28), 65.7°(0.13), 85.9°(0.11), 88.4°(0.06), 89.1°(0.07).
Generate atomic structure description with lattice leng... | JVASP-189234 | 4.91 4.91 4.95
90 90 90
Pb 0.500 0.500 0.500
Y 0.000 0.500 0.000
Y 0.500 -0.000 -0.000
Ca 0.000 -0.000 0.500
C 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: LiSc2Ru.
The XRD pattern shows main peaks at: 23.7°(0.63), 39.2°(1.0), 46.3°(0.28), 56.7°(0.15), 62.3°(0.12), 71.1°(0.3), 76.1°(0.09), 84.3°(0.1), 89.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39744 | 4.59 4.59 4.59
60 60 60
Li 0.250 0.250 0.250
Sc 0.000 0.000 0.000
Sc 0.500 0.500 0.500
Ru 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Nd2Te3.
The XRD pattern shows main peaks at: 20.6°(0.2), 21.4°(0.25), 24.8°(0.21), 26.1°(0.48), 28.9°(0.68), 30.1°(0.75), 30.6°(0.9), 31.0°(0.72), 32.6°(0.3), 33.2°(1.0), 36.3°(0.39), 36.9°(0.37), 38.6°(0.38), 39.1°(0.17), 40.8°(0.66), 43.6°(0.34), 47.9°(0.22), 51.9°(0.15), 53.6°(0.16), 61.3°(0... | JVASP-49249 | 4.43 12.00 12.35
90 90 90
Nd 0.250 0.498 0.696
Nd 0.750 0.502 0.304
Nd 0.750 0.998 0.804
Nd 0.250 0.002 0.196
Nd 0.250 0.187 0.517
Nd 0.750 0.813 0.483
Nd 0.750 0.687 0.983
Nd 0.250 0.313 0.017
Te 0.750 0.442 0.881
Te 0.250 0.558 0.119
Te 0.250 0.301 0.274
Te 0.750 0.699 0.726
Te 0.750 0.801 0.226
Te 0.750 0.123 0.043
... |
Below is a description of a material. | The chemical formula is: ZnBi2O5.
The XRD pattern shows main peaks at: 16.9°(0.31), 18.3°(0.42), 18.7°(0.24), 22.5°(0.14), 23.0°(0.13), 26.9°(0.45), 27.8°(0.54), 28.7°(0.86), 28.9°(0.77), 30.2°(1.0), 31.3°(0.32), 34.3°(0.33), 34.9°(0.23), 38.3°(0.13), 42.5°(0.14), 43.3°(0.15), 45.8°(0.15), 47.7°(0.14), 48.0°(0.21), 55.... | JVASP-9800 | 3.80 5.24 11.92
91 94 87
Zn 0.377 0.795 0.773
Zn 0.975 0.132 0.206
Bi 0.977 0.279 0.865
Bi 0.440 0.602 0.096
Bi 0.052 0.685 0.394
Bi 0.642 0.275 0.575
O 0.013 0.536 0.227
O 0.645 0.493 0.737
O 0.180 0.647 0.910
O 0.958 0.313 0.047
O 0.098 0.535 0.561
O 0.563 0.512 0.403
O 0.036 0.053 0.708
O 0.033 0.074 0.404
O 0.477 -... |
Below is a description of a material. | The chemical formula is: CeNiSn.
The XRD pattern shows main peaks at: 22.9°(0.05), 25.8°(0.08), 33.0°(1.0), 40.3°(0.61), 47.7°(0.12), 53.0°(0.28), 64.2°(0.32), 68.6°(0.26), 73.2°(0.11), 87.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-94313 | 4.48 4.48 7.62
90 90 120
Ce 0.000 0.000 0.500
Ce 0.000 0.000 0.000
Ni 0.667 0.333 0.750
Ni 0.333 0.667 0.250
Sn 0.667 0.333 0.250
Sn 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Y3Ru.
The XRD pattern shows main peaks at: 18.6°(0.21), 19.4°(0.14), 21.0°(0.26), 29.9°(0.32), 30.9°(0.3), 31.4°(0.5), 32.5°(1.0), 34.5°(0.89), 34.9°(0.66), 36.7°(0.27), 38.5°(0.37), 39.0°(0.31), 39.8°(0.32), 41.0°(0.3), 49.3°(0.31), 52.3°(0.19), 56.5°(0.21), 58.2°(0.13), 59.7°(0.2), 69.2°(0.17... | JVASP-154266 | 6.31 7.29 9.16
90 90 90
Y 0.832 0.177 0.936
Y 0.332 0.323 0.064
Y 0.168 0.823 0.436
Y 0.668 0.677 0.564
Y 0.168 0.823 0.064
Y 0.668 0.677 0.936
Y 0.832 0.177 0.564
Y 0.332 0.323 0.436
Y 0.367 0.041 0.750
Y 0.867 0.459 0.250
Y 0.633 0.959 0.250
Y 0.133 0.541 0.750
Ru 0.540 0.385 0.750
Ru 0.040 0.115 0.250
Ru 0.460 0.615... |
Below is a description of a material. | The chemical formula is: LiV2O4.
The XRD pattern shows main peaks at: 18.6°(1.0), 36.1°(0.51), 37.8°(0.07), 43.9°(0.65), 63.8°(0.35), 80.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-59595 | 5.83 5.83 5.83
60 60 60
Li 0.875 0.875 0.875
Li 0.125 0.125 0.125
V 0.500 0.000 0.500
V 1.000 0.500 0.500
V 0.500 0.500 0.000
V 0.500 0.500 0.500
O 0.260 0.260 0.260
O 0.260 0.260 0.720
O 0.740 0.740 0.740
O 0.740 0.740 0.280
O 0.280 0.740 0.740
O 0.260 0.720 0.260
O 0.720 0.260 0.260
O 0.740 0.280 0.740 |
Below is a description of a material. | The chemical formula is: K2NaCd.
The XRD pattern shows main peaks at: 8.6°(0.97), 17.2°(0.2), 20.5°(1.0), 28.4°(0.72), 29.5°(0.43), 33.4°(0.18), 40.6°(0.18), 45.9°(0.22), 58.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80548 | 20.68 10.80 10.80
23 16 16
K 0.665 -0.000 -0.000
K 0.335 0.000 0.000
Na 0.000 0.000 0.000
Cd 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: ThFe5.
The XRD pattern shows main peaks at: 20.3°(0.21), 22.3°(0.14), 30.4°(0.82), 35.6°(0.44), 41.3°(0.39), 42.4°(1.0), 45.6°(0.24), 59.2°(0.19), 60.7°(0.23), 63.2°(0.22), 63.9°(0.08), 68.6°(0.23), 75.4°(0.15), 82.1°(0.2), 83.4°(0.1).
Generate atomic structure description with lattice lengths,... | JVASP-149297 | 5.04 5.04 3.98
90 90 120
Th 0.000 0.000 0.000
Fe 0.333 0.667 0.000
Fe 0.667 0.333 0.000
Fe 0.000 0.500 0.500
Fe 0.500 0.500 0.500
Fe 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: Re3Sn.
The XRD pattern shows main peaks at: 36.2°(0.25), 39.3°(0.25), 41.4°(1.0), 54.5°(0.15), 65.1°(0.18), 72.7°(0.2), 78.8°(0.21), 80.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39473 | 5.73 5.73 4.58
90 90 120
Re 0.670 0.835 0.250
Re 0.165 0.835 0.250
Re 0.165 0.330 0.250
Re 0.330 0.165 0.750
Re 0.835 0.165 0.750
Re 0.835 0.670 0.750
Sn 0.333 0.667 0.750
Sn 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: NbCoAs.
The XRD pattern shows main peaks at: 37.4°(0.92), 37.9°(0.14), 39.3°(1.0), 40.3°(0.22), 44.8°(0.56), 47.2°(0.21), 48.4°(0.4), 50.2°(0.16), 50.8°(0.09), 53.8°(0.09), 58.3°(0.1), 64.7°(0.11), 68.0°(0.15), 72.2°(0.13), 73.7°(0.16), 77.2°(0.07), 81.4°(0.08), 83.0°(0.08), 84.1°(0.11), 85.3°(... | JVASP-152464 | 3.76 6.33 7.19
90 90 90
Nb 0.250 0.023 0.329
Nb 0.750 0.477 0.829
Nb 0.750 0.977 0.671
Nb 0.250 0.523 0.171
Co 0.250 0.152 0.935
Co 0.750 0.348 0.435
Co 0.750 0.848 0.065
Co 0.250 0.652 0.565
As 0.250 0.281 0.621
As 0.750 0.219 0.121
As 0.750 0.719 0.379
As 0.250 0.781 0.879 |
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