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: Y3Si2Ni2.
The XRD pattern shows main peaks at: 10.4°(0.09), 22.5°(0.06), 27.0°(0.32), 31.7°(0.08), 32.8°(1.0), 34.3°(0.55), 37.7°(0.18), 43.5°(0.25), 44.2°(0.26), 44.5°(0.24), 44.9°(0.19), 53.6°(0.13), 57.4°(0.25), 63.7°(0.13), 64.5°(0.14).
Generate atomic structure description with lattice len... | JVASP-102157 | 8.96 8.96 8.96
153 153 37
Y 0.181 0.681 0.500
Y 0.819 0.319 0.500
Y 0.000 0.000 0.000
Si 0.361 0.861 0.500
Si 0.639 0.139 0.500
Ni 0.431 0.431 0.000
Ni 0.569 0.569 -0.000 |
Below is a description of a material. | The chemical formula is: HfReAs.
The XRD pattern shows main peaks at: 24.5°(0.5), 28.4°(0.05), 40.6°(1.0), 48.0°(0.27), 58.8°(0.17), 64.7°(0.11), 73.9°(0.35), 79.2°(0.08), 87.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75585 | 4.44 4.44 4.44
60 60 60
Hf 0.750 0.750 0.750
Re 0.000 0.000 0.000
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: CaBeGa2.
The XRD pattern shows main peaks at: 13.2°(0.31), 26.6°(0.06), 29.9°(0.26), 38.0°(1.0), 40.4°(0.13), 49.1°(0.07), 54.9°(0.16), 56.7°(0.1), 63.8°(0.05), 68.7°(0.29), 76.7°(0.07), 81.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71172 | 3.34 3.34 6.70
90 90 90
Ca 0.500 0.500 0.739
Be 0.000 0.000 0.422
Ga 0.000 0.000 0.052
Ga 0.500 0.500 0.287 |
Below is a description of a material. | The chemical formula is: Pr2FeSi3.
The XRD pattern shows main peaks at: 20.7°(0.07), 25.2°(0.35), 32.8°(1.0), 42.1°(0.12), 44.4°(0.31), 49.7°(0.11), 56.3°(0.21), 62.8°(0.21), 74.4°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111012 | 4.08 4.08 8.59
90 90 120
Pr 0.000 0.000 0.244
Pr 0.000 0.000 0.756
Fe 0.333 0.667 0.000
Si 0.333 0.667 0.500
Si 0.667 0.333 0.000
Si 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: ErCu2.
The XRD pattern shows main peaks at: 24.3°(0.21), 35.2°(0.28), 36.4°(1.0), 39.5°(0.09), 42.6°(0.31), 43.0°(0.33), 55.0°(0.06), 56.8°(0.06), 57.3°(0.16), 59.5°(0.06), 61.0°(0.1), 61.7°(0.07), 65.7°(0.06), 70.4°(0.13), 72.2°(0.07), 73.9°(0.1), 78.2°(0.05), 79.8°(0.06), 81.5°(0.07).
Generat... | JVASP-148989 | 5.37 5.37 5.37
133 103 94
Er 0.707 0.457 0.250
Er 0.293 0.543 0.750
Cu 0.883 0.835 0.048
Cu 0.287 0.835 0.452
Cu 0.713 0.165 0.548
Cu 0.117 0.165 0.952 |
Below is a description of a material. | The chemical formula is: CaIn2Pd2.
The XRD pattern shows main peaks at: 18.2°(0.71), 20.3°(0.4), 31.7°(0.55), 33.1°(0.79), 36.7°(1.0), 41.2°(0.35), 42.2°(0.12), 45.5°(0.72), 50.2°(0.47), 52.8°(0.38), 56.3°(0.14), 63.2°(0.29), 63.7°(0.1), 72.2°(0.35), 75.8°(0.12), 77.9°(0.11), 82.0°(0.06), 86.8°(0.22), 87.3°(0.09), 89.3... | JVASP-180424 | 5.98 5.98 5.98
131 131 70
Ca 0.000 0.000 -0.000
In 0.356 0.356 0.000
In 0.644 0.644 0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Sn.
The XRD pattern shows main peaks at: 31.2°(0.58), 34.3°(1.0), 44.8°(0.24), 53.4°(0.07), 57.6°(0.47), 63.2°(0.18), 65.2°(0.08), 72.2°(0.13), 74.1°(0.11), 75.8°(0.1), 89.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14782 | 3.34 3.34 3.34
105 105 118
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: La2Mg.
The XRD pattern shows main peaks at: 14.0°(0.11), 23.7°(0.37), 28.2°(0.11), 31.1°(1.0), 32.2°(0.46), 43.3°(0.14), 46.1°(0.17), 52.5°(0.09), 54.6°(0.09), 56.7°(0.35), 67.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168074 | 13.25 3.94 7.87
90 107 90
La 0.155 0.000 0.576
La 0.845 -0.000 0.424
La 0.156 -0.000 0.079
La 0.844 0.000 0.921
La 0.655 0.500 0.576
La 0.345 0.500 0.424
La 0.656 0.500 0.079
La 0.344 0.500 0.921
Mg 0.001 0.500 0.752
Mg 0.999 0.500 0.248
Mg 0.501 -0.000 0.752
Mg 0.499 0.000 0.248 |
Below is a description of a material. | The chemical formula is: TiBe2Cr.
The XRD pattern shows main peaks at: 25.4°(0.84), 35.6°(0.67), 44.2°(1.0), 51.2°(0.33), 52.2°(0.16), 58.0°(0.27), 64.8°(0.19), 75.4°(0.1), 76.2°(0.17), 81.1°(0.08), 86.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-70053 | 2.52 2.52 7.01
90 90 90
Ti 0.500 0.500 0.500
Be 0.000 0.000 0.769
Be 0.000 0.000 0.231
Cr 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ScGa2Ni2.
The XRD pattern shows main peaks at: 16.9°(0.25), 25.0°(0.33), 33.4°(0.07), 34.9°(0.58), 37.7°(1.0), 48.0°(0.71), 48.5°(0.71), 49.6°(0.36), 51.2°(0.05), 54.9°(0.08), 60.7°(0.23), 63.4°(0.09), 70.2°(0.19), 71.5°(0.23), 73.6°(0.06), 82.6°(0.16).
Generate atomic structure description wit... | JVASP-155722 | 5.90 5.90 5.90
142 142 54
Sc 0.000 0.000 0.000
Ga 0.383 0.383 -0.000
Ga 0.617 0.617 0.000
Ni 0.750 0.250 0.500
Ni 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: ReCl2O.
The XRD pattern shows main peaks at: 16.1°(1.0), 25.2°(0.97), 32.6°(0.11), 34.4°(0.67), 37.9°(0.53), 47.9°(0.46), 48.7°(0.13), 49.2°(0.13), 49.8°(0.1), 51.6°(0.11), 52.1°(0.1), 55.7°(0.13), 56.1°(0.2), 61.0°(0.25), 64.4°(0.09), 70.9°(0.11), 71.7°(0.08), 72.2°(0.07), 74.1°(0.07), 85.1°(0... | JVASP-179272 | 6.09 6.09 6.09
144 144 51
Re 0.000 -0.000 0.000
Cl 0.856 0.356 0.500
Cl 0.144 0.644 0.500
O 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: LiFeAs.
The XRD pattern shows main peaks at: 14.6°(1.0), 27.8°(0.96), 36.7°(0.21), 38.0°(0.05), 45.2°(0.88), 48.2°(0.35), 50.6°(0.15), 51.2°(0.17), 56.5°(0.25), 57.1°(0.16), 61.0°(0.07), 70.5°(0.11), 72.9°(0.11), 81.3°(0.12), 87.8°(0.23).
Generate atomic structure description with lattice lengt... | JVASP-93708 | 3.78 3.78 6.07
90 90 90
Li 0.750 0.750 0.165
Li 0.250 0.250 0.835
Fe 0.750 0.250 0.500
Fe 0.250 0.750 0.500
As 0.750 0.750 0.728
As 0.250 0.250 0.272 |
Below is a description of a material. | The chemical formula is: Tb2CoSi2.
The XRD pattern shows main peaks at: 23.5°(0.79), 26.0°(0.26), 27.0°(0.59), 27.9°(0.21), 33.8°(0.72), 34.3°(1.0), 34.8°(0.84), 35.4°(0.2), 37.4°(0.53), 39.4°(0.18), 40.8°(0.18), 41.2°(0.27), 41.9°(0.43), 43.6°(0.55), 52.0°(0.2), 54.8°(0.15), 56.5°(0.3), 57.8°(0.16), 61.6°(0.16), 66.4°... | JVASP-100270 | 5.64 5.64 10.05
62 62 43
Tb 0.002 0.002 0.328
Tb -0.002 -0.002 0.672
Tb 0.814 0.814 0.105
Tb 0.186 0.186 0.895
Co 0.727 0.727 0.622
Co 0.273 0.273 0.378
Si 0.655 0.655 0.433
Si 0.345 0.345 0.567
Si 0.505 0.505 0.127
Si 0.495 0.495 0.873 |
Below is a description of a material. | The chemical formula is: LiTiSeO.
The XRD pattern shows main peaks at: 14.3°(0.92), 21.0°(0.7), 28.8°(0.1), 29.7°(0.18), 30.9°(0.12), 33.6°(1.0), 39.1°(0.52), 40.7°(0.48), 42.7°(0.62), 43.4°(0.15), 46.6°(0.1), 53.2°(0.17), 54.1°(0.24), 56.7°(0.2), 64.4°(0.09), 70.5°(0.24), 72.4°(0.1), 74.7°(0.13), 78.0°(0.12), 88.2°(0.... | JVASP-159868 | 3.44 6.20 5.79
90 90 90
Li 0.000 0.353 0.185
Li 0.000 0.647 0.685
Ti 0.500 0.000 0.435
Ti 0.500 1.000 0.935
Se 0.000 0.769 0.185
Se 0.000 0.231 0.685
O 0.500 0.212 0.185
O 0.500 0.788 0.685 |
Below is a description of a material. | The chemical formula is: LaPdO4.
The XRD pattern shows main peaks at: 28.6°(1.0), 30.2°(0.38), 33.6°(0.45), 47.1°(0.41), 49.3°(0.29), 56.0°(0.14), 57.0°(0.35), 59.0°(0.16), 70.6°(0.1), 76.2°(0.13), 87.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105464 | 6.32 6.32 6.32
35 35 35
La 0.000 0.000 0.000
Pd 0.500 0.500 0.500
O 0.612 0.612 0.612
O 0.158 0.158 0.158
O 0.842 0.842 0.842
O 0.388 0.388 0.388 |
Below is a description of a material. | The chemical formula is: TeOsCl2.
The XRD pattern shows main peaks at: 23.0°(0.49), 38.0°(1.0), 44.9°(0.27), 54.8°(0.15), 60.2°(0.11), 68.7°(0.33), 73.5°(0.09), 81.3°(0.11), 85.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51178 | 4.73 4.73 4.73
60 60 60
Te 0.250 0.250 0.250
Os 0.500 0.500 0.500
Cl 0.000 0.000 0.000
Cl 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiHg.
The XRD pattern shows main peaks at: 25.9°(1.0), 26.6°(0.99), 28.3°(0.85), 37.5°(0.91), 38.4°(0.41), 38.8°(0.77), 40.0°(0.37), 46.9°(0.4), 48.3°(0.4), 53.3°(0.16), 54.8°(0.16), 60.6°(0.2), 61.6°(0.36), 65.1°(0.17), 67.6°(0.16), 68.0°(0.15), 68.7°(0.16), 70.2°(0.15), 72.7°(0.13), 88.2°(0.1... | JVASP-124356 | 4.51 3.44 3.16
90 132 90
Li 0.000 0.000 0.000
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MnNiAs.
The XRD pattern shows main peaks at: 24.3°(0.07), 28.9°(0.12), 38.1°(0.83), 41.8°(1.0), 44.8°(0.35), 49.8°(0.33), 51.2°(0.35), 51.6°(0.44), 69.2°(0.17), 74.2°(0.22), 82.9°(0.26), 87.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-63299 | 6.19 6.19 3.66
90 90 120
Mn 0.590 -0.000 0.500
Mn 0.410 0.410 0.500
Mn -0.000 0.590 0.500
Ni 0.254 -0.000 0.000
Ni 0.746 0.746 0.000
Ni -0.000 0.254 0.000
As 0.667 0.333 0.000
As 0.333 0.667 0.000
As 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Sr2MgTeO6.
The XRD pattern shows main peaks at: 19.3°(0.32), 31.8°(1.0), 37.4°(0.12), 45.4°(0.31), 56.6°(0.29), 66.4°(0.18), 75.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-174761 | 5.64 5.64 5.68
59 59 59
Sr 0.750 0.750 0.252
Sr 0.250 0.250 0.748
Mg -0.000 0.000 0.500
Te 0.500 0.500 0.000
O 0.258 0.258 0.190
O 0.742 0.742 0.810
O 0.284 0.770 0.732
O 0.230 0.716 0.268
O 0.716 0.230 0.268
O 0.770 0.284 0.732 |
Below is a description of a material. | The chemical formula is: Ce2Fe17.
The XRD pattern shows main peaks at: 30.4°(0.23), 31.2°(0.06), 37.5°(0.25), 38.1°(0.14), 43.6°(1.0), 44.1°(0.07), 49.0°(0.15), 79.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86314 | 6.35 6.35 6.35
81 81 81
Ce 0.341 0.341 0.341
Ce 0.659 0.659 0.659
Fe 0.842 0.341 0.341
Fe 0.158 0.659 0.659
Fe 0.659 0.659 0.158
Fe 0.659 0.158 0.659
Fe 0.296 -0.000 0.704
Fe 0.000 0.704 0.296
Fe 0.704 0.296 0.000
Fe 0.341 0.341 0.842
Fe 0.296 0.704 -0.000
Fe -0.000 0.500 -0.000
Fe 0.500 0.000 0.000
Fe -0.000 -0.000 0.... |
Below is a description of a material. | The chemical formula is: TbSmHg2.
The XRD pattern shows main peaks at: 33.9°(1.0), 48.7°(0.18), 60.7°(0.39), 71.4°(0.12), 81.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39592 | 5.29 5.29 5.29
60 60 60
Tb 0.750 0.750 0.750
Sm 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Hg 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: RbYS2.
The XRD pattern shows main peaks at: 11.6°(0.06), 23.3°(0.17), 26.5°(0.3), 29.9°(1.0), 40.7°(0.39), 44.7°(0.36), 47.4°(0.11), 51.0°(0.14), 54.7°(0.18), 62.0°(0.11), 62.7°(0.07), 67.4°(0.12), 73.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-37111 | 4.06 4.06 7.97
75 75 60
Rb 0.000 0.000 0.000
Y 0.500 0.500 0.500
S 0.769 0.769 0.694
S 0.231 0.231 0.306 |
Below is a description of a material. | The chemical formula is: Ca2SnO4.
The XRD pattern shows main peaks at: 17.8°(0.82), 30.9°(0.2), 31.6°(0.63), 32.6°(1.0), 36.8°(0.1), 40.1°(0.09), 41.5°(0.09), 42.6°(0.15), 45.7°(0.51), 46.3°(0.12), 48.8°(0.06), 55.7°(0.14), 56.1°(0.14), 56.7°(0.16), 57.1°(0.32), 59.0°(0.08), 62.7°(0.1), 65.5°(0.16), 67.6°(0.07), 82.5°(... | JVASP-9680 | 3.30 5.78 9.76
90 90 90
Ca 0.500 0.071 0.318
Ca 0.500 0.929 0.682
Ca 0.500 0.429 0.818
Ca 0.500 0.571 0.182
Sn 0.000 0.000 0.000
Sn 0.000 0.500 0.500
O 0.000 0.136 0.806
O 0.000 0.864 0.194
O 0.000 0.636 0.694
O 0.000 0.364 0.306
O 0.500 0.270 0.548
O 0.500 0.730 0.452
O 0.500 0.230 0.048
O 0.500 0.770 0.952 |
Below is a description of a material. | The chemical formula is: BeAlRh2.
The XRD pattern shows main peaks at: 30.9°(0.72), 44.3°(1.0), 55.0°(0.19), 64.4°(0.14), 73.2°(0.2), 81.5°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190675 | 2.89 2.89 6.46
63 90 90
Be 0.500 0.750 0.750
Rh 0.000 0.014 0.986
Rh 0.000 0.486 0.514
Al 0.500 0.250 0.250 |
Below is a description of a material. | The chemical formula is: ScPd2Pb.
The XRD pattern shows main peaks at: 23.1°(0.24), 38.1°(1.0), 45.0°(0.15), 55.0°(0.16), 68.8°(0.33), 81.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102148 | 4.73 4.73 4.73
60 60 60
Sc 0.500 0.500 0.500
Pd 0.250 0.250 0.250
Pd 0.750 0.750 0.750
Pb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TmSi.
The XRD pattern shows main peaks at: 21.7°(0.32), 28.6°(0.63), 36.2°(1.0), 44.3°(0.11), 50.6°(0.22), 53.6°(0.23), 55.7°(0.17), 59.1°(0.09), 63.8°(0.19), 69.5°(0.17), 76.2°(0.11), 76.8°(0.08), 81.5°(0.07), 85.6°(0.18).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-126690 | 3.61 3.61 4.09
90 90 120
Tm 0.333 0.667 0.750
Si 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: TlGa2Ge2.
The XRD pattern shows main peaks at: 21.1°(0.17), 27.5°(0.23), 31.8°(0.64), 32.2°(1.0), 33.5°(0.08), 39.2°(0.55), 46.8°(0.31), 51.3°(0.36), 52.5°(0.09), 56.7°(0.2), 59.1°(0.13), 62.7°(0.25), 66.8°(0.25), 70.3°(0.05), 76.5°(0.07), 83.6°(0.13), 84.4°(0.07).
Generate atomic structure des... | JVASP-155743 | 4.59 4.59 6.26
111 111 90
Tl 0.000 0.000 0.000
Ga 0.618 0.618 0.236
Ga 0.382 0.382 0.764
Ge 0.750 0.250 0.500
Ge 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: CeAlSi2.
The XRD pattern shows main peaks at: 8.0°(0.39), 16.1°(0.11), 24.2°(0.09), 24.7°(0.39), 26.0°(0.32), 29.6°(0.61), 34.9°(1.0), 40.9°(0.11), 43.6°(0.45), 48.4°(0.13), 50.5°(0.08), 53.6°(0.12), 57.0°(0.23), 61.3°(0.2), 71.4°(0.1), 74.4°(0.2), 80.0°(0.08).
Generate atomic structure descrip... | JVASP-149708 | 4.16 4.16 11.03
89 90 120
Ce 0.000 1.000 0.180
Ce 1.000 0.000 0.820
Al 0.333 0.667 0.586
Al 0.667 0.333 0.414
Si 0.333 0.667 0.994
Si 0.667 0.333 0.006
Si 0.333 0.667 0.353
Si 0.667 0.333 0.647 |
Below is a description of a material. | The chemical formula is: ZrSiPt2.
The XRD pattern shows main peaks at: 15.4°(0.29), 30.0°(0.54), 31.1°(0.08), 36.5°(0.81), 39.8°(0.11), 40.7°(1.0), 47.5°(0.06), 48.7°(0.1), 52.6°(0.29), 61.3°(0.13), 61.7°(0.14), 68.6°(0.41), 71.0°(0.08), 73.5°(0.08), 76.8°(0.09), 77.6°(0.09), 88.2°(0.07), 88.9°(0.13).
Generate atomic s... | JVASP-184900 | 3.48 3.48 5.75
90 90 90
Zr 0.500 0.500 0.600
Si -0.000 0.000 0.950
Pt -0.000 -0.000 0.384
Pt 0.500 0.500 0.076 |
Below is a description of a material. | The chemical formula is: Y2MgNi2.
The XRD pattern shows main peaks at: 17.0°(0.23), 24.2°(0.08), 34.3°(0.23), 36.4°(1.0), 38.7°(0.28), 44.4°(0.08), 48.9°(0.13), 49.6°(0.06), 51.2°(0.11), 52.8°(0.08), 57.3°(0.1), 58.7°(0.05), 64.1°(0.11), 69.9°(0.07), 73.9°(0.1), 74.8°(0.05), 83.2°(0.09).
Generate atomic structure descr... | JVASP-50950 | 7.36 7.36 3.72
90 90 89
Y 0.172 0.672 0.500
Y 0.328 0.172 0.500
Y 0.672 0.828 0.500
Y 0.828 0.328 0.500
Mg 0.000 -0.000 0.000
Mg 0.500 0.500 0.000
Ni 0.122 0.378 0.000
Ni 0.378 0.878 0.000
Ni 0.622 0.122 0.000
Ni 0.878 0.622 0.000 |
Below is a description of a material. | The chemical formula is: CaMnSb2.
The XRD pattern shows main peaks at: 17.0°(0.2), 22.1°(0.12), 25.6°(0.2), 26.6°(0.41), 30.2°(0.34), 32.9°(0.1), 33.7°(1.0), 40.3°(0.06), 41.3°(0.5), 45.0°(0.06), 45.5°(0.34), 48.4°(0.14), 49.3°(0.14), 49.8°(0.14), 59.9°(0.14), 65.5°(0.1), 66.2°(0.06), 68.5°(0.07), 70.5°(0.21), 78.3°(0.... | JVASP-99860 | 4.37 4.37 10.42
90 90 90
Ca 0.000 0.500 0.239
Ca 0.500 0.000 0.761
Mn 0.000 0.000 0.500
Mn 0.500 0.500 0.500
Sb 0.000 0.000 0.000
Sb 0.500 0.500 0.000
Sb 0.000 0.500 0.650
Sb 0.500 0.000 0.350 |
Below is a description of a material. | The chemical formula is: K2Mg2Si2O7.
The XRD pattern shows main peaks at: 33.8°(1.0), 35.1°(0.95), 37.7°(0.61), 40.8°(0.18), 44.7°(0.62), 49.5°(0.26), 55.4°(0.11), 62.1°(0.3), 62.9°(0.47), 67.3°(0.48), 74.1°(0.1), 88.7°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom type... | JVASP-28390 | 5.12 5.12 6.63
90 90 120
K 0.333 0.667 0.500
K 0.667 0.333 0.500
Mg 0.667 0.333 0.000
Mg 0.333 0.667 0.000
Si -0.000 0.000 0.758
Si 0.000 -0.000 0.242
O 0.000 0.000 0.500
O 0.688 0.000 0.181
O 0.312 0.312 0.181
O 0.000 0.688 0.181
O 0.312 -0.000 0.819
O 0.688 0.688 0.819
O -0.000 0.312 0.819 |
Below is a description of a material. | The chemical formula is: Mg6NbCo.
The XRD pattern shows main peaks at: 16.1°(0.45), 17.0°(0.95), 24.9°(0.11), 25.5°(0.08), 28.6°(0.15), 30.2°(0.11), 34.4°(0.71), 37.8°(0.88), 38.4°(0.51), 39.5°(1.0), 42.2°(0.16), 48.1°(0.18), 49.1°(0.11), 52.5°(0.32), 59.1°(0.13), 62.7°(0.24), 69.1°(0.14), 70.2°(0.16), 72.7°(0.14), 75.... | JVASP-94122 | 6.26 6.26 4.69
90 90 123
Mg 0.180 0.843 0.250
Mg 0.657 0.320 0.250
Mg 0.674 0.826 0.250
Mg 0.319 0.667 0.750
Mg 0.833 0.181 0.750
Mg 0.831 0.669 0.750
Nb 0.306 0.194 0.750
Co 0.200 0.300 0.250 |
Below is a description of a material. | The chemical formula is: LiSi2BiO6.
The XRD pattern shows main peaks at: 18.3°(0.34), 19.2°(0.35), 19.9°(1.0), 23.9°(0.66), 26.7°(0.72), 29.2°(0.19), 30.1°(0.63), 34.1°(0.32), 35.3°(0.26), 38.0°(0.35), 40.5°(0.5), 41.1°(0.2), 42.1°(0.15), 43.1°(0.14), 43.5°(0.12), 44.3°(0.14), 48.8°(0.15), 54.9°(0.15), 60.7°(0.12), 63.... | JVASP-50761 | 6.83 6.83 5.27
78 101 95
Li 0.089 0.089 0.750
Li 0.911 0.911 0.250
Si 0.189 0.625 0.726
Si 0.375 0.811 0.226
Si 0.625 0.189 0.774
Si 0.811 0.375 0.274
Bi 0.722 0.722 0.750
Bi 0.278 0.278 0.250
O 0.887 0.604 0.180
O 0.685 0.361 0.519
O 0.396 0.113 0.680
O 0.639 0.315 0.019
O 0.361 0.685 0.981
O 0.208 0.981 0.143
O 0.315... |
Below is a description of a material. | The chemical formula is: TiP3.
The XRD pattern shows main peaks at: 18.8°(0.06), 27.0°(0.11), 31.0°(0.11), 36.7°(1.0), 38.3°(0.31), 46.0°(0.65), 49.9°(0.22), 51.8°(0.2), 55.3°(0.08), 64.6°(0.1), 66.2°(0.09), 71.6°(0.09), 74.8°(0.13), 75.6°(0.06), 87.3°(0.09).
Generate atomic structure description with lattice lengths, ... | JVASP-123627 | 3.53 3.65 5.03
90 110 90
Ti 0.328 -0.000 0.657
P 0.622 0.000 0.243
P 0.141 0.500 0.281
P 0.909 0.500 0.819 |
Below is a description of a material. | The chemical formula is: TlSb5.
The XRD pattern shows main peaks at: 28.5°(1.0), 40.0°(0.4), 41.3°(0.41), 50.9°(0.22), 58.9°(0.13), 67.5°(0.17), 74.4°(0.13), 75.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124708 | 4.37 4.37 11.20
90 90 120
Tl 0.000 0.000 0.250
Sb 0.667 0.333 0.071
Sb 0.667 0.333 0.584
Sb 0.333 0.667 0.429
Sb 0.333 0.667 0.916
Sb 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: Pm3Mg.
The XRD pattern shows main peaks at: 17.7°(0.07), 20.1°(0.2), 25.5°(0.06), 31.2°(1.0), 35.9°(0.19), 36.4°(0.37), 52.1°(0.25), 61.7°(0.15), 62.3°(0.31), 65.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105235 | 6.10 6.10 6.10
132 132 69
Pm 0.500 0.500 0.000
Pm 0.750 0.250 0.500
Pm 0.250 0.750 0.500
Mg 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrTlO3.
The XRD pattern shows main peaks at: 20.9°(0.26), 29.7°(1.0), 42.4°(0.3), 47.7°(0.12), 52.6°(0.44), 61.6°(0.2), 65.8°(0.06), 69.8°(0.2), 77.6°(0.06), 85.2°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37634 | 4.26 4.26 4.26
90 90 90
Sr 0.000 0.000 0.000
Tl 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: SrS2.
The XRD pattern shows main peaks at: 20.5°(0.24), 29.2°(0.32), 31.2°(1.0), 34.8°(0.21), 37.6°(0.28), 41.7°(0.1), 47.0°(0.26), 47.5°(0.12), 48.3°(0.15), 56.7°(0.09), 65.7°(0.16), 69.0°(0.18), 69.7°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-7902 | 5.78 5.78 5.78
97 116 116
Sr -0.000 0.750 0.750
Sr -0.000 0.250 0.250
S 0.254 0.377 0.877
S 0.500 0.877 0.623
S 0.746 0.623 0.123
S 0.500 0.123 0.377 |
Below is a description of a material. | The chemical formula is: NbMo.
The XRD pattern shows main peaks at: 39.4°(1.0), 57.0°(0.15), 71.5°(0.31), 84.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127492 | 3.23 3.23 3.23
90 90 90
Nb 0.000 0.000 0.000
Mo 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: YbGa4Ni.
The XRD pattern shows main peaks at: 17.9°(0.09), 26.3°(0.1), 31.2°(0.12), 35.6°(1.0), 36.2°(0.18), 36.7°(0.42), 38.0°(0.36), 39.4°(0.55), 43.1°(0.09), 44.2°(0.35), 45.2°(0.17), 50.7°(0.08), 56.2°(0.12), 58.4°(0.09), 59.6°(0.17), 64.6°(0.09), 65.0°(0.11), 74.1°(0.11), 74.6°(0.08), 75.6... | JVASP-152176 | 7.89 7.89 6.55
90 90 149
Yb 0.625 0.375 0.750
Yb 0.375 0.625 0.250
Ga 0.000 0.000 0.000
Ga 0.000 0.000 0.500
Ga 0.432 0.568 0.750
Ga 0.568 0.432 0.250
Ga 0.815 0.185 0.951
Ga 0.185 0.815 0.451
Ga 0.815 0.185 0.549
Ga 0.185 0.815 0.049
Ni 0.277 0.723 0.750
Ni 0.723 0.277 0.250 |
Below is a description of a material. | The chemical formula is: LuInPd2.
The XRD pattern shows main peaks at: 38.0°(1.0), 54.9°(0.17), 68.7°(0.36), 81.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-7738 | 4.73 4.73 4.73
60 60 60
Lu 0.500 0.500 0.500
In 0.000 0.000 0.000
Pd 0.750 0.750 0.750
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: USbTe.
The XRD pattern shows main peaks at: 19.5°(0.09), 22.8°(0.42), 29.2°(0.37), 29.5°(0.32), 30.8°(0.64), 35.4°(1.0), 36.2°(0.68), 41.7°(0.55), 48.1°(0.13), 51.9°(0.24), 54.8°(0.2), 56.4°(0.37), 59.0°(0.1), 60.5°(0.2), 68.7°(0.14), 69.5°(0.12), 71.2°(0.19), 72.1°(0.27), 72.6°(0.09), 87.4°(0.... | JVASP-15994 | 4.33 4.33 9.08
90 90 90
U 0.500 0.000 0.730
U 0.000 0.500 0.270
Sb 0.500 0.500 0.000
Sb 0.000 0.000 0.000
Te 0.000 0.500 0.631
Te 0.500 0.000 0.369 |
Below is a description of a material. | The chemical formula is: BeFeMo2.
The XRD pattern shows main peaks at: 13.1°(0.21), 26.4°(0.16), 32.9°(0.06), 35.5°(0.63), 40.1°(0.22), 42.7°(1.0), 47.2°(0.51), 52.8°(0.07), 54.9°(0.09), 63.6°(0.22), 65.1°(0.1), 69.0°(0.15), 74.8°(0.05), 79.3°(0.09), 80.1°(0.12), 82.9°(0.11), 84.6°(0.27), 88.5°(0.08).
Generate atomic s... | JVASP-71186 | 2.72 2.72 6.74
90 90 90
Be 0.000 0.000 0.545
Fe 0.500 0.500 0.715
Mo 0.000 0.000 0.949
Mo 0.500 0.500 0.291 |
Below is a description of a material. | The chemical formula is: Pm3H.
The XRD pattern shows main peaks at: 30.3°(1.0), 35.1°(0.6), 50.5°(0.29), 60.0°(0.39), 63.0°(0.11), 74.1°(0.06), 82.3°(0.11), 84.9°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-125773 | 3.61 3.61 8.89
90 90 120
Pm 0.667 0.333 0.835
Pm 0.000 0.000 0.500
Pm 0.333 0.667 0.165
H 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TeMoS.
The XRD pattern shows main peaks at: 6.6°(0.53), 13.2°(0.29), 19.9°(0.16), 30.6°(0.44), 33.5°(0.07), 36.8°(1.0), 41.1°(0.09), 46.0°(0.24), 54.4°(0.22), 58.6°(0.05), 67.5°(0.15), 74.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34069 | 3.37 13.37 3.37
90 119 90
Te 0.333 0.892 0.667
Te 0.333 0.608 0.667
Mo 0.667 0.750 0.333
Mo 0.333 0.250 0.667
S 0.667 0.363 0.333
S 0.667 0.137 0.333 |
Below is a description of a material. | The chemical formula is: Li2HgGe.
The XRD pattern shows main peaks at: 23.9°(0.45), 27.7°(1.0), 39.5°(1.0), 48.9°(0.31), 57.1°(0.17), 64.6°(0.41), 71.7°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17400 | 4.56 4.56 4.56
60 60 60
Li 0.250 0.250 0.250
Li 0.750 0.750 0.750
Hg 0.500 0.500 0.500
Ge 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Li2GeSb2Te5.
The XRD pattern shows main peaks at: 4.9°(0.33), 23.9°(0.06), 25.1°(0.15), 26.4°(0.12), 29.0°(1.0), 41.6°(0.38), 51.5°(0.19), 68.3°(0.17), 76.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105461 | 18.07 18.07 18.07
13 13 13
Li 0.413 0.413 0.413
Li 0.785 0.785 0.785
Ge 0.008 0.008 0.008
Sb 0.194 0.194 0.194
Sb 0.602 0.602 0.602
Te 0.301 0.301 0.301
Te 0.495 0.495 0.495
Te 0.899 0.899 0.899
Te 0.702 0.702 0.702
Te 0.101 0.101 0.101 |
Below is a description of a material. | The chemical formula is: RuPt3.
The XRD pattern shows main peaks at: 25.3°(0.05), 39.7°(1.0), 46.1°(0.42), 67.3°(0.3), 81.1°(0.3), 85.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190381 | 3.93 3.93 4.82
114 114 89
Ru 1.000 1.000 0.000
Pt 0.250 0.750 0.500
Pt 0.750 0.250 0.500
Pt 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: BaEr3.
The XRD pattern shows main peaks at: 7.4°(0.14), 28.4°(0.06), 29.4°(0.49), 30.0°(0.33), 32.2°(1.0), 36.5°(0.28), 41.8°(0.12), 47.9°(0.09), 50.4°(0.26), 59.7°(0.28), 61.1°(0.16), 83.0°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130160 | 3.62 3.62 11.92
90 90 120
Ba 0.000 0.000 0.000
Er 0.333 0.667 0.273
Er 0.000 0.000 0.500
Er 0.667 0.333 0.727 |
Below is a description of a material. | The chemical formula is: CaMg2In.
The XRD pattern shows main peaks at: 21.1°(0.3), 24.4°(0.35), 34.8°(1.0), 41.0°(0.17), 42.9°(0.1), 50.0°(0.18), 54.8°(0.07), 56.4°(0.12), 62.3°(0.36), 66.6°(0.05), 73.4°(0.11), 77.3°(0.05), 78.6°(0.05), 83.8°(0.15).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-157387 | 5.16 5.16 5.16
60 60 60
Ca 0.250 0.250 0.250
Mg 0.000 0.000 0.000
Mg 0.500 0.500 0.500
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: NaAsIr2.
The XRD pattern shows main peaks at: 24.3°(0.42), 40.2°(1.0), 47.5°(0.22), 58.1°(0.17), 63.9°(0.09), 73.0°(0.35), 78.2°(0.06), 86.8°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75712 | 4.49 4.49 4.49
60 60 60
Na 0.750 0.750 0.750
As 0.500 0.500 0.500
Ir 0.000 0.000 0.000
Ir 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li8FeO6.
The XRD pattern shows main peaks at: 17.9°(0.93), 19.3°(0.68), 19.9°(0.73), 20.9°(0.71), 21.6°(0.59), 23.2°(0.55), 29.6°(0.19), 31.4°(0.24), 34.6°(0.16), 35.6°(1.0), 39.2°(0.57), 39.6°(0.5), 47.1°(0.33), 49.8°(0.23), 51.3°(0.36), 51.8°(0.34), 58.0°(0.26), 58.6°(0.26), 62.6°(0.2), 65.9°... | JVASP-44363 | 5.25 5.29 5.77
62 66 64
Li 0.228 0.515 0.358
Li 0.103 0.757 0.662
Li 0.484 0.101 0.643
Li 0.376 0.333 0.978
Li 0.624 0.667 0.022
Li 0.516 0.899 0.357
Li 0.897 0.243 0.338
Li 0.772 0.485 0.642
Fe 0.000 0.000 0.000
O 0.104 0.355 0.770
O 0.215 0.924 0.235
O 0.587 0.257 0.245
O 0.413 0.743 0.755
O 0.785 0.076 0.765
O 0.896... |
Below is a description of a material. | The chemical formula is: FeSe2.
The XRD pattern shows main peaks at: 30.8°(0.19), 34.6°(1.0), 38.0°(0.8), 44.1°(0.13), 52.3°(0.65), 57.2°(0.22), 59.6°(0.43), 64.2°(0.07), 72.9°(0.06), 75.0°(0.22), 77.1°(0.1), 87.3°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-146292 | 5.80 5.80 5.80
90 90 90
Fe 0.500 0.500 0.000
Fe 0.500 0.000 0.500
Fe 0.000 0.500 0.500
Fe 0.000 0.000 0.000
Se 0.126 0.874 0.374
Se 0.874 0.374 0.126
Se 0.374 0.126 0.874
Se 0.626 0.626 0.626
Se 0.874 0.126 0.626
Se 0.126 0.626 0.874
Se 0.626 0.874 0.126
Se 0.374 0.374 0.374 |
Below is a description of a material. | The chemical formula is: SrIn2Ni.
The XRD pattern shows main peaks at: 16.0°(0.18), 28.1°(0.08), 31.8°(1.0), 33.8°(0.34), 34.4°(0.26), 38.4°(0.26), 39.5°(0.28), 40.0°(0.18), 41.3°(0.52), 46.8°(0.06), 54.7°(0.13), 55.1°(0.11), 57.6°(0.15), 58.8°(0.29), 62.4°(0.12), 64.2°(0.09), 69.2°(0.14), 71.1°(0.1), 78.4°(0.09), 84.0... | JVASP-156162 | 5.95 5.95 7.76
90 90 43
Sr 0.445 0.445 0.250
Sr 0.555 0.555 0.750
In 0.157 0.157 0.054
In 0.157 0.157 0.446
In 0.843 0.843 0.554
In 0.843 0.843 0.946
Ni 0.722 0.722 0.250
Ni 0.278 0.278 0.750 |
Below is a description of a material. | The chemical formula is: MgAl.
The XRD pattern shows main peaks at: 20.8°(1.0), 32.0°(0.41), 36.4°(0.8), 38.5°(0.38), 42.3°(0.13), 49.3°(0.71), 54.1°(0.12), 65.6°(0.15), 74.9°(0.19), 77.4°(0.09), 78.7°(0.17), 86.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79220 | 4.93 4.93 5.59
90 90 119
Mg 0.333 0.667 0.563
Mg 0.667 0.333 0.063
Al 0.333 0.667 0.062
Al 0.667 0.333 0.562 |
Below is a description of a material. | The chemical formula is: MnGaPd2.
The XRD pattern shows main peaks at: 28.9°(0.09), 41.3°(1.0), 59.9°(0.15), 75.3°(0.31), 89.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107201 | 4.37 4.37 4.37
60 59 59
Mn 0.000 0.000 0.000
Ga 0.500 0.500 0.500
Pd 0.750 0.750 0.750
Pd 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Li2MgIr.
The XRD pattern shows main peaks at: 25.0°(1.0), 28.9°(0.39), 41.4°(0.58), 48.9°(0.45), 51.3°(0.11), 59.9°(0.09), 66.0°(0.2), 67.9°(0.15), 75.5°(0.18), 80.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-154310 | 6.17 6.17 6.17
90 90 90
Li 0.500 0.500 0.500
Li 0.000 0.500 0.500
Li 0.500 0.000 0.500
Li 0.500 0.500 0.000
Li 0.730 0.730 0.270
Li 0.270 0.270 0.270
Li 0.270 0.730 0.730
Li 0.730 0.270 0.730
Mg 0.000 0.000 0.000
Mg 0.500 0.000 0.000
Mg 0.000 0.500 0.000
Mg 0.000 0.000 0.500
Ir 0.253 0.253 0.747
Ir 0.747 0.747 0.747
Ir... |
Below is a description of a material. | The chemical formula is: SbCl3.
The XRD pattern shows main peaks at: 9.4°(1.0), 18.8°(0.22), 28.4°(0.34), 30.1°(1.0), 31.6°(0.13), 34.1°(0.32), 34.4°(0.21), 35.8°(0.1), 38.2°(0.26), 40.4°(0.15), 40.8°(0.2), 41.9°(0.09), 48.0°(0.1), 49.4°(0.24), 50.1°(0.08), 53.4°(0.17), 57.3°(0.18), 59.6°(0.09), 66.1°(0.09), 75.8°(0.07... | JVASP-124295 | 3.72 3.50 9.42
90 89 122
Sb 0.926 0.000 0.373
Cl 0.030 -0.000 0.623
Cl 0.625 0.000 0.897
Cl 0.419 0.000 0.107 |
Below is a description of a material. | The chemical formula is: Dy2CdTe4.
The XRD pattern shows main peaks at: 12.2°(0.17), 23.5°(0.51), 24.5°(0.09), 28.4°(0.76), 37.1°(0.28), 40.6°(1.0), 50.3°(0.19), 58.7°(0.16), 73.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111616 | 8.89 8.89 8.89
60 60 60
Dy 0.125 0.625 0.625
Dy 0.625 0.125 0.625
Dy 0.625 0.625 0.125
Dy 0.625 0.625 0.625
Cd 0.250 0.250 0.250
Cd 0.000 0.000 0.000
Te 0.858 0.381 0.381
Te 0.381 0.858 0.381
Te 0.381 0.381 0.858
Te 0.381 0.381 0.381
Te 0.392 0.869 0.869
Te 0.869 0.392 0.869
Te 0.869 0.869 0.392
Te 0.869 0.869 0.869 |
Below is a description of a material. | The chemical formula is: NaMg6Nb.
The XRD pattern shows main peaks at: 14.1°(0.46), 20.0°(0.15), 24.3°(0.13), 28.3°(0.12), 31.9°(0.06), 34.8°(1.0), 37.8°(0.14), 40.0°(0.16), 40.6°(0.31), 42.7°(0.05), 45.6°(0.05), 47.9°(0.06), 50.2°(0.05), 58.4°(0.22), 58.8°(0.1), 69.4°(0.13), 70.2°(0.11), 73.6°(0.09).
Generate atomic s... | JVASP-93078 | 6.28 8.88 4.50
90 90 134
Na 0.250 0.375 0.250
Mg 0.750 0.375 0.250
Mg 0.750 0.875 0.250
Mg 0.250 0.108 0.750
Mg 0.250 0.642 0.750
Mg 0.716 0.108 0.750
Mg 0.784 0.642 0.750
Nb 0.250 0.875 0.250 |
Below is a description of a material. | The chemical formula is: Pm3Er.
The XRD pattern shows main peaks at: 30.6°(1.0), 35.5°(0.48), 51.0°(0.35), 60.7°(0.42), 63.7°(0.12), 75.1°(0.05), 83.2°(0.18), 85.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105233 | 5.06 5.06 5.06
90 90 90
Pm 0.000 0.500 0.500
Pm 0.500 0.000 0.500
Pm 0.500 0.500 0.000
Er 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbHg5Cl11.
The XRD pattern shows main peaks at: 15.0°(1.0), 20.0°(0.31), 20.8°(0.46), 21.4°(0.43), 23.4°(0.55), 27.5°(0.3), 28.3°(0.34), 29.9°(0.57), 30.5°(0.99), 32.3°(0.28), 33.7°(0.34), 34.7°(0.19), 36.3°(0.2), 36.8°(0.18), 38.4°(0.26), 41.2°(0.18), 46.7°(0.15), 47.9°(0.27), 48.3°(0.29), 49.... | JVASP-143161 | 9.16 9.16 6.52
72 72 100
Rb 0.000 0.000 0.000
Hg 0.355 0.016 0.313
Hg 0.645 0.984 0.687
Hg 0.984 0.645 0.687
Hg 0.016 0.355 0.313
Hg 0.500 0.500 -0.000
Cl 0.416 0.171 0.917
Cl 0.584 0.829 0.083
Cl -0.000 -0.000 0.500
Cl 0.147 0.701 0.293
Cl 0.701 0.147 0.293
Cl 0.299 0.853 0.707
Cl 0.171 0.416 0.917
Cl 0.350 0.350 0.40... |
Below is a description of a material. | The chemical formula is: LuGa3.
The XRD pattern shows main peaks at: 18.8°(0.06), 23.9°(0.25), 31.2°(0.05), 36.2°(0.17), 36.7°(1.0), 38.2°(0.18), 44.7°(0.3), 53.6°(0.1), 60.2°(0.17), 65.1°(0.1), 68.1°(0.08), 77.1°(0.2), 78.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-122678 | 5.51 5.51 4.05
68 111 136
Lu 0.103 0.897 0.853
Ga 0.367 0.633 0.617
Ga 0.867 0.133 0.117
Ga 0.664 0.336 0.414 |
Below is a description of a material. | The chemical formula is: VPO5.
The XRD pattern shows main peaks at: 21.2°(0.68), 25.6°(0.45), 28.6°(1.0), 35.9°(0.39), 40.9°(0.06), 45.7°(0.17), 46.5°(0.12), 48.8°(0.2), 54.8°(0.06), 59.2°(0.16), 60.9°(0.06), 62.9°(0.09), 63.6°(0.08), 64.9°(0.1), 67.0°(0.09), 71.1°(0.08), 76.2°(0.08), 79.6°(0.05), 85.0°(0.07).
Generate... | JVASP-11739 | 6.25 6.25 4.19
90 90 90
V 0.000 0.500 0.372
V 0.500 0.000 0.628
P 0.500 0.500 0.500
P 0.000 0.000 0.500
O 0.201 0.001 0.715
O 0.501 0.299 0.715
O 0.500 0.000 0.244
O 0.000 0.500 0.756
O 0.499 0.701 0.715
O 0.799 0.999 0.715
O 0.701 0.501 0.285
O 0.001 0.799 0.285
O 0.999 0.201 0.285
O 0.299 0.499 0.285 |
Below is a description of a material. | The chemical formula is: Sb5Ru.
The XRD pattern shows main peaks at: 30.2°(1.0), 34.8°(0.1), 40.5°(0.35), 45.9°(0.32), 55.9°(0.17), 61.3°(0.07), 62.8°(0.1), 75.1°(0.14), 81.2°(0.09), 84.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-132790 | 3.96 3.96 11.73
90 90 120
Sb 0.667 0.333 0.129
Sb 0.667 0.333 0.579
Sb 0.333 0.667 0.371
Sb 0.333 0.667 0.921
Sb 0.000 0.000 0.750
Ru 0.000 0.000 0.250 |
Below is a description of a material. | The chemical formula is: TbRu2.
The XRD pattern shows main peaks at: 34.1°(0.46), 36.0°(0.99), 39.8°(1.0), 40.4°(0.13), 40.9°(0.8), 44.7°(0.09), 45.2°(0.11), 61.0°(0.06), 62.3°(0.36), 64.9°(0.22), 66.5°(0.33), 68.8°(0.05), 71.8°(0.27), 83.0°(0.18), 85.7°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-112866 | 5.26 5.26 8.94
90 90 120
Tb 0.333 0.667 0.433
Tb 0.667 0.333 0.567
Tb 0.667 0.333 0.933
Tb 0.333 0.667 0.067
Ru 0.000 0.000 0.500
Ru 0.000 0.000 0.000
Ru 0.830 0.170 0.250
Ru 0.830 0.659 0.250
Ru 0.341 0.170 0.250
Ru 0.170 0.830 0.750
Ru 0.170 0.341 0.750
Ru 0.659 0.830 0.750 |
Below is a description of a material. | The chemical formula is: ScCCl2.
The XRD pattern shows main peaks at: 12.2°(0.26), 27.1°(0.11), 29.8°(1.0), 36.8°(0.31), 38.6°(0.61), 46.5°(0.08), 54.6°(0.33), 55.8°(0.18), 57.9°(0.2), 64.5°(0.18), 68.8°(0.17), 82.8°(0.05), 84.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-117887 | 3.30 3.30 7.28
90 90 90
Sc 0.500 0.500 0.775
C 0.000 0.000 0.696
Cl 0.000 0.000 0.453
Cl 0.500 0.500 0.087 |
Below is a description of a material. | The chemical formula is: KRb2LaCl6.
The XRD pattern shows main peaks at: 13.5°(0.28), 15.6°(0.1), 22.2°(1.0), 27.3°(0.23), 31.6°(0.84), 38.9°(0.46), 45.3°(0.54), 51.0°(0.07), 56.2°(0.19), 65.9°(0.09), 74.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110713 | 8.01 8.01 8.01
60 60 60
K 0.500 0.500 0.500
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
La 0.000 0.000 0.000
Cl 0.757 0.243 0.243
Cl 0.243 0.243 0.757
Cl 0.243 0.757 0.757
Cl 0.243 0.757 0.243
Cl 0.757 0.243 0.757
Cl 0.757 0.757 0.243 |
Below is a description of a material. | The chemical formula is: LiCuF.
The XRD pattern shows main peaks at: 25.5°(1.0), 33.2°(0.48), 42.4°(0.54), 45.0°(0.57), 52.5°(0.14), 57.1°(0.55), 63.5°(0.15), 75.6°(0.09), 81.2°(0.14), 83.1°(0.08), 87.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134654 | 4.03 4.03 2.70
90 90 119
Li 0.667 0.333 0.000
Cu 0.000 0.000 0.000
F 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: CeFeSb2.
The XRD pattern shows main peaks at: 28.0°(0.16), 30.5°(0.29), 34.7°(1.0), 37.7°(0.07), 41.5°(0.47), 48.2°(0.08), 50.8°(0.15), 52.3°(0.15), 55.3°(0.16), 57.3°(0.08), 60.1°(0.16), 67.6°(0.06), 68.9°(0.18), 71.2°(0.24).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-91534 | 4.36 4.36 9.54
90 90 90
Ce 0.750 0.750 0.732
Ce 0.250 0.250 0.268
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
Sb 0.250 0.750 0.000
Sb 0.750 0.250 0.000
Sb 0.750 0.750 0.357
Sb 0.250 0.250 0.643 |
Below is a description of a material. | The chemical formula is: Nb5Ni4P4.
The XRD pattern shows main peaks at: 32.2°(0.27), 35.8°(0.07), 36.9°(0.54), 38.1°(0.21), 40.2°(0.3), 41.2°(1.0), 45.2°(0.21), 46.2°(0.31), 51.5°(0.25), 65.8°(0.06), 67.3°(0.12), 71.6°(0.17), 73.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-21599 | 3.55 7.31 7.31
86 75 75
Nb 0.806 0.064 0.325
Nb 0.130 0.675 0.064
Nb 0.870 0.325 0.936
Nb 0.194 0.936 0.675
Nb 0.500 0.000 0.000
Ni 0.915 0.695 0.476
Ni 0.085 0.305 0.524
Ni 0.610 0.476 0.305
Ni 0.390 0.524 0.695
P 0.556 0.204 0.684
P 0.240 0.316 0.204
P 0.760 0.684 0.796
P 0.444 0.796 0.316 |
Below is a description of a material. | The chemical formula is: TiClO2.
The XRD pattern shows main peaks at: 11.1°(0.7), 22.3°(0.76), 33.4°(1.0), 45.0°(0.43), 45.6°(0.11), 46.8°(0.22), 50.8°(0.28), 57.4°(0.06), 65.5°(0.12), 66.0°(0.13), 67.4°(0.16), 70.1°(0.1), 75.5°(0.15), 83.4°(0.06), 84.3°(0.08).
Generate atomic structure description with lattice lengths... | JVASP-134573 | 2.85 2.85 7.96
90 90 90
Ti 0.500 0.500 0.583
Cl 0.000 0.000 0.112
O 0.000 0.000 0.529
O 0.500 0.500 0.787 |
Below is a description of a material. | The chemical formula is: Cu3Ge.
The XRD pattern shows main peaks at: 39.0°(0.23), 42.6°(0.26), 44.7°(1.0), 59.1°(0.13), 70.7°(0.15), 79.4°(0.15), 86.2°(0.18), 87.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17483 | 4.25 4.62 5.33
90 90 90
Cu 0.000 0.169 0.500
Cu 0.500 0.831 0.000
Cu 0.500 0.337 0.248
Cu 0.500 0.337 0.752
Cu 0.000 0.663 0.252
Cu 0.000 0.663 0.748
Ge 0.500 0.828 0.500
Ge 0.000 0.172 0.000 |
Below is a description of a material. | The chemical formula is: USb2.
The XRD pattern shows main peaks at: 20.3°(0.11), 23.0°(0.42), 29.2°(0.34), 30.6°(0.41), 31.0°(0.75), 35.9°(1.0), 37.2°(0.49), 41.8°(0.59), 42.9°(0.05), 46.9°(0.06), 48.3°(0.13), 52.7°(0.34), 56.7°(0.15), 57.2°(0.3), 60.7°(0.2), 68.7°(0.07), 69.5°(0.17), 72.5°(0.3), 72.9°(0.15), 88.2°(0.0... | JVASP-15026 | 4.32 4.32 8.76
90 90 90
U 0.500 0.000 0.280
U 0.000 0.500 0.720
Sb 0.000 0.000 0.000
Sb 0.500 0.500 0.000
Sb 0.500 0.000 0.640
Sb 0.000 0.500 0.360 |
Below is a description of a material. | The chemical formula is: NbRh3.
The XRD pattern shows main peaks at: 40.0°(1.0), 46.6°(0.51), 68.0°(0.33), 81.9°(0.38), 86.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14557 | 3.90 3.90 3.90
90 90 90
Nb 0.000 0.000 0.000
Rh 0.000 0.500 0.500
Rh 0.500 0.500 0.000
Rh 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: SiSnPt5.
The XRD pattern shows main peaks at: 24.9°(0.08), 31.6°(0.17), 34.0°(0.42), 37.7°(0.23), 40.6°(1.0), 45.2°(0.45), 50.0°(0.05), 51.1°(0.05), 60.3°(0.25), 65.9°(0.16), 70.6°(0.08), 74.3°(0.18), 76.3°(0.08), 78.5°(0.12), 80.3°(0.26), 87.9°(0.05).
Generate atomic structure description with... | JVASP-35487 | 4.01 4.01 7.15
90 90 90
Si 0.000 0.000 0.500
Sn 0.500 0.500 0.000
Pt 0.000 0.500 0.296
Pt 0.000 0.500 0.704
Pt 0.500 0.000 0.296
Pt 0.500 0.000 0.704
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgTe2.
The XRD pattern shows main peaks at: 18.8°(0.51), 22.9°(0.8), 29.8°(0.32), 32.9°(0.93), 38.1°(0.05), 40.5°(1.0), 45.0°(0.1), 46.8°(0.11), 56.8°(0.11), 58.4°(0.38), 63.8°(0.26), 68.9°(0.11), 73.7°(0.18), 78.2°(0.14), 82.6°(0.14), 87.5°(0.12).
Generate atomic structure description with lat... | JVASP-139464 | 5.45 5.45 3.88
90 90 120
Mg 0.000 0.000 0.000
Te 0.333 0.667 0.000
Te 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Hg5Pd2.
The XRD pattern shows main peaks at: 28.5°(0.54), 29.9°(0.58), 32.6°(0.4), 35.1°(0.17), 36.3°(0.57), 37.4°(1.0), 38.6°(0.36), 39.6°(0.2), 40.8°(0.2), 41.8°(0.86), 44.8°(0.5), 47.7°(0.15), 48.6°(0.24), 51.3°(0.15), 62.1°(0.17), 66.8°(0.1), 68.3°(0.18), 69.7°(0.09), 74.8°(0.34), 75.5°(0.1... | JVASP-165119 | 2.99 9.90 9.90
90 90 90
Hg 0.000 0.204 0.935
Hg -0.000 0.935 0.796
Hg 0.000 0.565 0.296
Hg -0.000 0.435 0.704
Hg 0.000 0.704 0.565
Hg -0.000 0.296 0.435
Hg -0.000 0.796 0.065
Hg 0.000 0.065 0.204
Hg 0.000 0.500 0.000
Hg 0.000 -0.000 0.500
Pd 0.500 0.821 0.321
Pd 0.500 0.679 0.821
Pd 0.500 0.321 0.179
Pd 0.500 0.179 0.6... |
Below is a description of a material. | The chemical formula is: CdSCl.
The XRD pattern shows main peaks at: 11.6°(0.53), 23.3°(0.24), 29.2°(1.0), 31.5°(0.24), 35.2°(0.27), 37.7°(0.27), 41.8°(0.34), 43.5°(0.1), 46.4°(0.46), 48.4°(0.13), 55.7°(0.24), 60.5°(0.12), 65.8°(0.05), 68.6°(0.22), 72.0°(0.12), 73.5°(0.07), 76.3°(0.05), 79.5°(0.17).
Generate atomic str... | JVASP-136307 | 3.06 3.06 7.65
90 90 90
Cd 0.000 0.000 0.352
S 0.000 0.000 -0.003
Cl 0.000 0.000 0.712 |
Below is a description of a material. | The chemical formula is: CaBi2Pd2.
The XRD pattern shows main peaks at: 15.6°(0.39), 20.1°(0.96), 26.3°(0.27), 30.1°(0.97), 30.8°(0.32), 37.6°(0.92), 40.9°(0.14), 41.6°(1.0), 43.0°(0.32), 44.2°(0.16), 48.9°(0.55), 54.2°(0.32), 55.7°(0.18), 59.4°(0.14), 63.3°(0.12), 70.5°(0.41), 73.3°(0.14), 76.0°(0.15), 78.5°(0.18), 81... | JVASP-186036 | 6.60 6.60 6.60
137 137 61
Ca 0.000 0.000 -0.000
Bi 0.367 0.367 -0.000
Bi 0.633 0.633 0.000
Pd 0.750 0.250 0.500
Pd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: V2Pb3O8.
The XRD pattern shows main peaks at: 18.4°(0.33), 25.1°(0.16), 28.4°(1.0), 31.2°(1.0), 40.5°(0.12), 42.7°(0.43), 48.6°(0.29), 53.9°(0.36), 55.5°(0.18), 58.9°(0.14), 65.1°(0.16), 68.1°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116784 | 7.52 7.52 7.52
44 44 44
V 0.595 0.595 0.595
V 0.405 0.405 0.405
Pb 0.799 0.799 0.799
Pb 0.201 0.201 0.201
Pb 0.000 0.000 0.000
O 0.679 0.679 0.679
O 0.321 0.321 0.321
O 0.732 0.732 0.236
O 0.236 0.732 0.732
O 0.732 0.236 0.732
O 0.764 0.268 0.268
O 0.268 0.268 0.764
O 0.268 0.764 0.268 |
Below is a description of a material. | The chemical formula is: LiFeF4.
The XRD pattern shows main peaks at: 16.0°(0.26), 19.1°(1.0), 23.8°(0.47), 24.3°(0.45), 25.0°(0.43), 30.9°(0.44), 31.2°(0.26), 37.9°(0.1), 40.9°(0.58), 41.9°(0.44), 42.6°(0.44), 46.1°(0.09), 53.6°(0.32), 54.3°(0.21), 55.3°(0.12), 65.0°(0.12), 66.3°(0.12), 67.9°(0.06), 72.1°(0.15), 83.0°... | JVASP-117101 | 4.98 4.65 5.52
90 91 90
Li 0.750 0.000 0.652
Li 0.250 -0.000 0.348
Fe 0.752 0.497 0.175
Fe 0.248 0.503 0.825
F 0.586 0.237 0.383
F 0.077 0.274 0.111
F 0.084 0.238 0.616
F 0.575 0.274 0.888
F 0.425 0.726 0.112
F 0.916 0.762 0.384
F 0.923 0.726 0.889
F 0.414 0.763 0.617 |
Below is a description of a material. | The chemical formula is: Ho3Er.
The XRD pattern shows main peaks at: 31.5°(1.0), 36.6°(0.48), 52.7°(0.35), 62.7°(0.43), 65.8°(0.12), 77.7°(0.06), 86.3°(0.17), 89.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106251 | 6.02 6.02 6.02
131 131 70
Ho 0.750 0.250 0.500
Ho 0.250 0.750 0.500
Ho 0.500 0.500 0.000
Er 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZrGaPd2.
The XRD pattern shows main peaks at: 39.5°(1.0), 57.1°(0.16), 71.6°(0.32), 85.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79387 | 4.56 4.56 4.56
60 60 60
Zr 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeCuHg.
The XRD pattern shows main peaks at: 14.8°(0.62), 29.8°(0.3), 35.2°(0.32), 38.3°(1.0), 45.4°(0.11), 46.7°(0.41), 58.7°(0.2), 63.1°(0.16), 65.2°(0.09), 71.3°(0.15), 73.2°(0.15), 76.3°(0.14), 81.1°(0.13), 82.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-66727 | 2.95 2.95 6.00
90 90 120
Be 0.000 0.000 0.970
Cu 0.333 0.667 0.712
Hg 0.667 0.333 0.319 |
Below is a description of a material. | The chemical formula is: MnHO2.
The XRD pattern shows main peaks at: 19.4°(1.0), 32.9°(0.41), 35.1°(0.07), 37.8°(0.44), 42.8°(0.09), 43.5°(0.25), 49.6°(0.29), 57.7°(0.13), 58.3°(0.17), 60.2°(0.12), 63.9°(0.07), 67.8°(0.05), 74.1°(0.05), 77.2°(0.06), 79.3°(0.05), 80.8°(0.06).
Generate atomic structure description with l... | JVASP-79451 | 2.90 3.20 4.79
105 90 116
Mn 0.075 0.053 0.019
H 0.581 0.066 0.555
O 0.652 0.206 0.782
O 0.487 0.877 0.228 |
Below is a description of a material. | The chemical formula is: ZnPN2.
The XRD pattern shows main peaks at: 18.1°(0.25), 31.0°(0.18), 36.1°(1.0), 36.7°(0.37), 44.4°(0.64), 48.3°(0.1), 48.8°(0.17), 58.9°(0.34), 64.6°(0.18), 65.8°(0.27), 76.3°(0.23), 76.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-137032 | 2.89 2.89 4.89
90 90 90
Zn 0.500 0.500 0.552
P 0.000 0.000 0.077
N 0.000 0.000 0.408
N 0.500 0.500 0.973 |
Below is a description of a material. | The chemical formula is: LaNiSnH2.
The XRD pattern shows main peaks at: 25.4°(0.06), 31.0°(1.0), 40.8°(0.47), 41.2°(0.14), 52.1°(0.23), 59.4°(0.31), 68.2°(0.21), 74.2°(0.05), 88.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-176740 | 4.43 7.67 8.76
90 90 90
La 0.250 0.750 0.500
La 0.750 0.250 0.500
La 0.750 0.250 -0.000
La 0.250 0.750 0.000
Ni 0.250 0.083 0.750
Ni 0.250 0.417 0.250
Ni 0.750 0.583 0.750
Ni 0.750 0.917 0.250
Sn 0.250 0.417 0.750
Sn 0.750 0.917 0.750
Sn 0.250 0.083 0.250
Sn 0.750 0.583 0.250
H 0.250 0.417 0.067
H 0.750 0.583 0.933
H 0... |
Below is a description of a material. | The chemical formula is: Ce2Fe17.
The XRD pattern shows main peaks at: 30.8°(0.19), 31.6°(0.06), 37.9°(0.22), 38.6°(0.13), 44.0°(1.0), 49.6°(0.12), 81.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-86937 | 6.28 6.28 6.28
81 81 81
Ce 0.344 0.344 0.344
Ce 0.656 0.656 0.656
Fe 0.847 0.337 0.337
Fe 0.153 0.663 0.663
Fe 0.663 0.663 0.153
Fe 0.663 0.153 0.663
Fe 0.295 1.000 0.705
Fe 0.000 0.705 0.295
Fe 0.705 0.295 1.000
Fe 0.337 0.337 0.847
Fe 0.295 0.705 0.000
Fe 0.000 0.500 0.000
Fe 0.500 -0.000 -0.000
Fe -0.000 0.000 0.500... |
Below is a description of a material. | The chemical formula is: YSc.
The XRD pattern shows main peaks at: 16.2°(0.2), 30.8°(0.12), 32.2°(1.0), 32.7°(0.3), 37.5°(0.64), 41.1°(0.06), 53.7°(0.19), 54.5°(0.19), 64.4°(0.24), 65.0°(0.12), 67.4°(0.11), 80.1°(0.06), 88.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-188666 | 3.41 3.41 5.81
72 72 59
Sc -0.000 -0.000 0.000
Y 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SnO.
The XRD pattern shows main peaks at: 29.4°(1.0), 32.8°(0.28), 36.5°(0.1), 47.1°(0.17), 49.9°(0.28), 56.5°(0.32), 61.0°(0.1), 61.4°(0.12), 68.8°(0.05), 76.5°(0.07), 78.3°(0.06), 80.8°(0.12), 89.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and ato... | JVASP-281 | 3.86 3.86 4.92
90 90 90
Sn 0.000 0.500 0.236
Sn 0.500 0.000 0.764
O 0.500 0.500 0.000
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NbIO.
The XRD pattern shows main peaks at: 9.9°(0.16), 19.9°(0.11), 26.2°(0.11), 31.6°(1.0), 34.5°(0.51), 39.0°(0.22), 40.2°(0.17), 47.8°(0.15), 49.6°(0.24), 51.3°(0.05), 54.3°(0.08), 60.0°(0.32), 63.3°(0.15), 64.8°(0.09), 71.3°(0.09), 72.7°(0.07), 74.1°(0.07), 81.4°(0.06), 83.1°(0.08).
Generat... | JVASP-116199 | 3.68 3.68 8.90
90 90 90
Nb 0.000 0.500 0.126
Nb 0.500 0.000 0.874
I 0.000 0.500 0.686
I 0.500 0.000 0.314
O 0.000 0.000 0.000
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TaB.
The XRD pattern shows main peaks at: 20.3°(0.1), 28.9°(0.61), 35.0°(1.0), 40.8°(0.99), 41.3°(0.84), 50.8°(0.26), 55.7°(0.15), 58.3°(0.14), 66.4°(0.12), 67.5°(0.62), 71.6°(0.1), 74.0°(0.34), 78.7°(0.07), 82.7°(0.11), 84.9°(0.1).
Generate atomic structure description with lattice lengths, an... | JVASP-20079 | 3.16 3.30 4.67
110 90 90
Ta 0.750 0.146 0.292
Ta 0.250 0.854 0.708
B 0.750 0.441 0.882
B 0.250 0.559 0.118 |
Below is a description of a material. | The chemical formula is: ZnPd.
The XRD pattern shows main peaks at: 40.8°(1.0), 44.2°(0.43), 53.4°(0.12), 64.3°(0.13), 71.8°(0.19), 78.9°(0.27), 88.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187692 | 2.90 2.90 3.43
90 90 90
Zn 0.500 0.500 0.000
Pd 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Sb5Pd.
The XRD pattern shows main peaks at: 29.8°(1.0), 35.7°(0.1), 42.5°(0.41), 42.8°(0.3), 52.8°(0.19), 61.9°(0.1), 62.7°(0.06), 70.0°(0.16), 78.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124683 | 4.25 4.25 10.31
90 90 120
Sb 0.667 0.333 0.121
Sb 0.667 0.333 0.570
Sb 0.333 0.667 0.379
Sb 0.333 0.667 0.930
Sb 0.000 0.000 0.750
Pd 0.000 0.000 0.250 |
Below is a description of a material. | The chemical formula is: LiV3CoO10.
The XRD pattern shows main peaks at: 20.0°(0.83), 23.7°(0.16), 24.6°(0.26), 27.2°(1.0), 33.3°(0.41), 34.6°(0.33), 38.5°(0.06), 42.4°(0.05), 43.8°(0.12), 45.2°(0.09), 47.0°(0.05), 56.0°(0.27), 57.2°(0.07), 59.2°(0.09), 60.9°(0.06), 62.9°(0.08), 63.7°(0.06), 66.3°(0.11).
Generate atomi... | JVASP-44656 | 6.57 6.57 4.45
92 87 89
Li 0.503 0.003 0.000
V 0.250 0.750 0.500
V 0.250 0.250 0.623
V 0.750 0.750 0.377
Co 0.751 0.251 0.500
O 0.033 0.757 0.294
O 0.271 0.226 0.257
O 0.257 0.533 0.706
O 0.259 0.962 0.740
O 0.462 0.759 0.260
O 0.526 0.239 0.738
O 0.739 0.026 0.262
O 0.745 0.478 0.290
O 0.726 0.771 0.743
O 0.978 0.245 ... |
Below is a description of a material. | The chemical formula is: Sm6InCo2.
The XRD pattern shows main peaks at: 25.9°(0.11), 28.0°(0.17), 28.5°(0.15), 29.9°(0.28), 31.7°(1.0), 33.9°(0.77), 34.4°(0.33), 35.0°(0.19), 35.5°(0.15), 36.4°(0.11), 38.3°(0.16), 39.2°(0.13), 40.1°(0.14), 53.2°(0.19), 55.0°(0.14), 55.9°(0.07), 57.6°(0.13), 59.5°(0.23).
Generate atomic... | JVASP-85737 | 8.49 8.49 8.49
106 108 112
Sm 0.187 0.510 0.323
Sm 0.187 0.864 0.677
Sm 0.705 0.265 0.970
Sm 0.399 0.214 0.184
Sm 0.970 0.786 0.184
Sm 0.295 0.265 0.559
Sm 0.295 0.735 0.030
Sm 0.813 0.136 0.323
Sm 0.813 0.490 0.677
Sm 0.705 0.735 0.441
Sm 0.030 0.214 0.816
Sm 0.601 0.786 0.816
In 0.500 0.000 0.500
In 0.500 0.500 -0.00... |
Below is a description of a material. | The chemical formula is: SrCa2Si2.
The XRD pattern shows main peaks at: 20.1°(0.1), 26.6°(0.06), 28.5°(0.45), 30.3°(1.0), 38.0°(0.35), 40.7°(0.25), 48.2°(0.27), 51.5°(0.07), 54.9°(0.15), 56.9°(0.17), 63.0°(0.08), 64.0°(0.21), 68.6°(0.06), 72.3°(0.06), 81.3°(0.05), 83.1°(0.06).
Generate atomic structure description with... | JVASP-183744 | 7.11 7.11 7.11
141 141 56
Sr -0.000 -0.000 0.000
Ca 0.250 0.750 0.500
Ca 0.750 0.250 0.500
Si 0.596 0.596 -0.000
Si 0.404 0.404 0.000 |
Below is a description of a material. | The chemical formula is: Sm3AlN.
The XRD pattern shows main peaks at: 16.3°(0.36), 23.2°(0.15), 28.5°(1.0), 33.0°(0.61), 37.1°(0.2), 40.8°(0.07), 47.4°(0.46), 50.5°(0.11), 56.3°(0.41), 59.0°(0.16), 69.3°(0.07), 71.8°(0.06), 76.6°(0.17), 78.9°(0.19), 88.3°(0.16).
Generate atomic structure description with lattice length... | JVASP-16299 | 5.42 5.42 5.42
90 90 90
Sm 0.000 0.500 0.500
Sm 0.500 0.000 0.500
Sm 0.500 0.500 0.000
Al 0.500 0.500 0.500
N 0.000 0.000 0.000 |
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