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: Rb2Cr3S4.
The XRD pattern shows main peaks at: 12.6°(0.25), 21.4°(0.54), 25.2°(1.0), 28.4°(0.33), 30.3°(0.27), 31.2°(0.15), 33.4°(0.47), 34.8°(0.23), 35.4°(0.99), 36.0°(0.17), 38.4°(0.4), 42.4°(0.23), 47.4°(0.13), 48.4°(0.16), 50.5°(0.13), 51.8°(0.41), 52.7°(0.19), 55.0°(0.27), 58.8°(0.13), 61.... | JVASP-162787 | 8.73 7.71 6.04
77 59 42
Cr 0.000 0.000 0.000
Cr 0.500 0.500 0.000
Cr 0.000 0.000 0.500
Rb 0.675 0.675 0.325
Rb 0.325 0.325 0.675
S 0.285 0.944 0.056
S 0.056 0.715 0.285
S 0.944 0.285 0.715
S 0.715 0.056 0.944 |
Below is a description of a material. | The chemical formula is: PmPIrO.
The XRD pattern shows main peaks at: 10.7°(0.54), 21.5°(0.34), 24.7°(0.28), 31.1°(0.6), 32.5°(0.34), 33.4°(1.0), 38.5°(0.69), 45.3°(0.47), 46.6°(0.06), 50.6°(0.13), 52.2°(0.07), 55.0°(0.53), 55.9°(0.22), 56.8°(0.29), 65.9°(0.17), 70.2°(0.05), 74.4°(0.09), 75.4°(0.12), 76.0°(0.19), 79.0°... | JVASP-159720 | 4.01 4.01 8.27
90 90 90
Pm 0.000 0.000 0.142
Pm 0.500 0.500 0.858
P 0.500 0.500 0.342
P 0.000 0.000 0.658
Ir 0.500 0.000 0.500
Ir 0.000 0.500 0.500
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: PrZr3F15.
The XRD pattern shows main peaks at: 21.9°(1.0), 24.8°(0.11), 26.2°(0.35), 28.7°(0.28), 30.1°(0.08), 36.4°(0.07), 44.6°(0.25), 47.1°(0.31), 53.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-34910 | 7.47 7.47 7.47
112 112 112
Pr 0.506 0.506 0.506
Zr 0.144 0.144 0.711
Zr 0.711 0.144 0.144
Zr 0.144 0.711 0.144
F 0.853 0.066 0.397
F 0.066 0.397 0.853
F 0.084 0.326 0.326
F 0.326 0.326 0.084
F 0.326 0.084 0.326
F 0.066 0.853 0.397
F 0.866 0.646 0.866
F 0.749 0.407 0.407
F 0.407 0.407 0.749
F 0.407 0.749 0.407
F 0.397 0... |
Below is a description of a material. | The chemical formula is: ScAl3.
The XRD pattern shows main peaks at: 21.6°(0.07), 30.7°(0.05), 37.9°(1.0), 44.0°(0.48), 64.0°(0.31), 76.8°(0.32), 80.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-20588 | 4.11 4.11 4.11
90 90 90
Sc 0.000 0.000 0.000
Al 0.500 0.000 0.500
Al 0.000 0.500 0.500
Al 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: LiCoSb.
The XRD pattern shows main peaks at: 26.2°(1.0), 30.4°(0.13), 43.5°(0.83), 51.5°(0.46), 63.3°(0.12), 69.7°(0.2), 79.9°(0.27), 85.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180485 | 4.16 4.16 4.16
60 60 60
Li 0.750 0.750 0.750
Co 0.000 0.000 0.000
Sb 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: LaAl4.
The XRD pattern shows main peaks at: 15.8°(0.25), 21.8°(0.63), 28.9°(0.34), 31.5°(0.75), 32.0°(0.13), 33.1°(1.0), 41.3°(0.41), 45.6°(0.33), 52.9°(0.36), 57.8°(0.14), 59.8°(0.13), 63.2°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-169197 | 4.37 8.89 8.89
77 75 75
La 0.667 0.333 0.334
La 0.333 0.666 0.667
La -0.000 0.999 0.001
Al 0.167 0.083 0.584
Al 0.000 0.614 0.386
Al 0.333 0.051 0.282
Al 0.500 0.749 0.251
Al 0.833 0.916 0.418
Al 0.000 0.385 0.615
Al 0.667 0.947 0.719
Al 0.333 0.281 0.053
Al 0.667 0.718 0.949
Al 0.500 0.249 0.751
Al 0.167 0.582 0.084
A... |
Below is a description of a material. | The chemical formula is: LiHg2Rh.
The XRD pattern shows main peaks at: 23.8°(0.22), 26.6°(0.39), 27.6°(0.66), 38.1°(1.0), 38.9°(0.47), 39.3°(0.84), 40.1°(0.41), 46.7°(0.09), 48.7°(0.16), 54.7°(0.17), 57.1°(0.31), 61.5°(0.08), 63.2°(0.07), 65.4°(0.07), 67.5°(0.09), 69.1°(0.18), 70.0°(0.15), 71.5°(0.16), 72.3°(0.16), 81.... | JVASP-80167 | 11.20 7.91 7.91
33 19 19
Li 0.000 0.000 0.000
Hg 0.739 0.009 0.009
Hg 0.261 -0.009 -0.009
Rh 0.500 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: YbNi3.
The XRD pattern shows main peaks at: 24.0°(0.24), 34.3°(0.21), 42.3°(1.0), 49.2°(0.43), 55.5°(0.12), 61.4°(0.08), 72.2°(0.29), 77.4°(0.05), 87.4°(0.35).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126355 | 3.70 3.70 3.70
90 90 90
Yb 0.000 0.000 0.000
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li2CuS2.
The XRD pattern shows main peaks at: 16.0°(1.0), 22.7°(0.25), 27.5°(0.44), 34.9°(0.19), 36.3°(0.17), 38.6°(0.12), 45.3°(0.47), 46.4°(0.2), 48.4°(0.2), 60.3°(0.07), 67.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-50909 | 5.53 5.53 5.80
90 90 89
Li 0.498 0.497 0.237
Li 0.997 0.998 0.237
Li 0.497 0.497 0.737
Li 0.997 0.997 0.737
Cu 0.497 -0.003 0.737
Cu 0.497 -0.003 0.237
S 0.731 0.231 0.488
S 0.730 0.764 0.987
S 0.264 0.230 0.987
S 0.264 0.764 0.487 |
Below is a description of a material. | The chemical formula is: KBePd2.
The XRD pattern shows main peaks at: 12.0°(0.89), 30.6°(0.5), 36.4°(0.13), 37.3°(1.0), 40.2°(0.44), 42.0°(0.16), 46.6°(0.16), 49.2°(0.09), 55.3°(0.14), 58.1°(0.15), 59.5°(0.06), 65.3°(0.14), 67.1°(0.11), 70.1°(0.07), 71.1°(0.28), 77.6°(0.06), 79.5°(0.08).
Generate atomic structure descr... | JVASP-74069 | 3.18 3.18 7.41
90 90 90
K 0.500 0.500 0.750
Be 0.000 0.000 0.374
Pd 0.000 0.000 0.068
Pd 0.500 0.500 0.309 |
Below is a description of a material. | The chemical formula is: Li4VTe3O12.
The XRD pattern shows main peaks at: 19.9°(0.4), 20.6°(1.0), 31.6°(0.38), 32.9°(0.31), 34.8°(0.1), 35.2°(0.18), 36.4°(0.05), 39.7°(0.12), 40.7°(0.06), 41.8°(0.12), 49.3°(0.09), 50.6°(0.13), 52.4°(0.13), 53.0°(0.07), 55.4°(0.09), 59.5°(0.07), 61.7°(0.06), 62.6°(0.1), 64.0°(0.05).
Gen... | JVASP-119730 | 8.80 4.95 5.17
86 90 90
Li 0.306 0.000 0.000
Li 0.133 0.500 0.000
Li 0.702 -0.000 0.500
Li 0.824 0.500 0.500
V 0.896 0.000 0.000
Te 0.603 0.500 0.000
Te 0.076 -0.000 0.500
Te 0.398 0.500 0.500
O 0.055 0.789 0.191
O 0.581 0.292 0.334
O 0.906 0.199 0.312
O 0.225 0.220 0.308
O 0.225 0.780 0.692
O 0.442 0.278 0.854
O 0.581... |
Below is a description of a material. | The chemical formula is: GeTe5Pb4.
The XRD pattern shows main peaks at: 23.9°(0.06), 27.7°(1.0), 39.6°(0.44), 49.0°(0.23), 64.7°(0.18), 71.9°(0.07), 85.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-111053 | 18.90 18.90 18.90
13 13 13
Ge 0.000 0.000 0.000
Te 0.695 0.695 0.695
Te 0.500 0.500 0.500
Te 0.098 0.098 0.098
Te 0.305 0.305 0.305
Te 0.902 0.902 0.902
Pb 0.603 0.603 0.603
Pb 0.201 0.201 0.201
Pb 0.799 0.799 0.799
Pb 0.397 0.397 0.397 |
Below is a description of a material. | The chemical formula is: SrAlH.
The XRD pattern shows main peaks at: 19.5°(1.0), 25.7°(0.38), 32.4°(0.56), 34.1°(0.57), 39.6°(0.16), 43.2°(0.53), 47.8°(0.18), 53.2°(0.14), 56.8°(0.1), 60.0°(0.19), 61.0°(0.1), 64.3°(0.18), 67.3°(0.15), 77.6°(0.09), 78.2°(0.09), 81.0°(0.08), 84.8°(0.08).
Generate atomic structure descrip... | JVASP-139241 | 5.26 5.26 3.47
90 90 120
Sr 0.667 0.333 0.000
Al 0.000 0.000 0.000
H 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: SrSmMn2O6.
The XRD pattern shows main peaks at: 20.0°(0.11), 23.1°(0.1), 33.0°(1.0), 40.6°(0.17), 47.1°(0.24), 47.5°(0.14), 58.8°(0.28), 69.1°(0.14), 78.5°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-132886 | 5.44 5.46 7.66
90 90 90
Sr 0.502 0.269 0.500
Sr 0.002 0.731 0.000
Sm 0.989 0.791 0.500
Sm 0.489 0.209 0.000
Mn 0.999 0.254 0.750
Mn 0.499 0.746 0.250
Mn 0.999 0.254 0.250
Mn 0.499 0.746 0.750
O 0.733 0.017 0.280
O 0.786 0.536 0.711
O 0.733 0.017 0.720
O 0.786 0.536 0.289
O 0.286 0.464 0.211
O 0.422 0.744 0.500
O 0.549 ... |
Below is a description of a material. | The chemical formula is: Li2Al2FeO6.
The XRD pattern shows main peaks at: 18.5°(1.0), 21.0°(0.06), 21.9°(0.07), 24.4°(0.07), 37.3°(0.24), 44.9°(0.56), 58.8°(0.11), 64.3°(0.11), 66.2°(0.17), 69.4°(0.09), 83.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-44912 | 4.89 4.89 5.07
80 99 59
Li 0.503 0.503 0.500
Li 0.846 0.846 0.500
Al 0.328 0.328 0.000
Al 0.664 0.664 0.000
Fe -0.001 -0.001 -0.000
O 0.070 0.603 0.212
O 0.258 0.730 0.791
O 0.603 0.070 0.788
O 0.409 0.921 0.207
O 0.730 0.258 0.209
O 0.921 0.409 0.793 |
Below is a description of a material. | The chemical formula is: AlMoO.
The XRD pattern shows main peaks at: 23.6°(0.39), 29.0°(0.5), 37.7°(1.0), 48.2°(0.12), 51.5°(0.31), 57.3°(0.32), 60.2°(0.06), 65.5°(0.18), 73.2°(0.23), 80.6°(0.06), 83.0°(0.14), 87.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180726 | 3.55 3.55 3.77
90 90 120
Al -0.000 -0.000 -0.000
Mo 0.333 0.667 0.500
O 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Fe2CoO6.
The XRD pattern shows main peaks at: 29.3°(1.0), 37.8°(0.6), 42.0°(0.13), 43.5°(0.14), 57.8°(0.65), 60.9°(0.17), 69.0°(0.11), 74.0°(0.2), 88.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-148381 | 4.30 4.30 8.56
90 90 90
Fe 0.500 0.500 0.334
Fe 0.500 0.500 0.666
Fe 0.000 0.000 0.166
Fe 0.000 0.000 0.834
Co 0.500 0.500 0.000
Co 0.000 0.000 0.500
O 0.306 0.694 0.500
O 0.194 0.194 0.000
O 0.196 0.196 0.668
O 0.196 0.196 0.332
O 0.804 0.804 0.668
O 0.694 0.306 0.500
O 0.806 0.806 0.000
O 0.304 0.696 0.168
O 0.696 0.... |
Below is a description of a material. | The chemical formula is: K2NiH6.
The XRD pattern shows main peaks at: 19.5°(0.57), 32.1°(1.0), 37.9°(0.26), 46.1°(0.19), 50.5°(0.1), 57.3°(0.35), 67.2°(0.1), 76.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157589 | 5.57 5.57 5.57
60 60 60
K 0.250 0.250 0.250
K 0.750 0.750 0.750
Ni 0.000 0.000 0.000
H 0.807 0.807 0.193
H 0.807 0.193 0.193
H 0.193 0.807 0.193
H 0.193 0.193 0.807
H 0.807 0.193 0.807
H 0.193 0.807 0.807 |
Below is a description of a material. | The chemical formula is: BeCl2.
The XRD pattern shows main peaks at: 12.9°(0.8), 32.0°(1.0), 37.2°(0.35), 53.6°(0.29), 63.8°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173010 | 8.38 8.38 8.38
109 109 109
Be 0.500 0.250 0.750
Be 0.250 0.500 0.750
Be 0.250 0.750 0.500
Be 0.750 0.500 0.250
Be 0.750 0.250 0.500
Be 0.500 0.750 0.250
Cl 0.254 0.519 -0.000
Cl -0.000 0.519 0.254
Cl 0.746 0.265 0.746
Cl 0.746 0.746 0.265
Cl -0.000 0.254 0.519
Cl 0.254 -0.000 0.519
Cl 0.519 0.254 -0.000
Cl 0.265 0.746 ... |
Below is a description of a material. | The chemical formula is: Ba.
The XRD pattern shows main peaks at: 15.2°(0.83), 23.6°(0.41), 26.4°(1.0), 28.1°(0.4), 30.6°(0.17), 35.7°(0.88), 39.0°(0.16), 46.6°(0.21), 48.2°(0.06), 52.9°(0.27), 54.3°(0.12), 55.8°(0.25), 60.0°(0.19), 69.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-25103 | 3.78 6.75 6.75
120 90 90
Ba 0.500 0.333 0.667
Ba 0.500 0.667 0.333 |
Below is a description of a material. | The chemical formula is: NbIn.
The XRD pattern shows main peaks at: 37.3°(1.0), 53.8°(0.17), 67.3°(0.33), 79.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129357 | 3.41 3.41 3.41
90 90 90
Nb 0.500 0.500 0.500
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HoGe2Ru2.
The XRD pattern shows main peaks at: 29.7°(0.07), 34.6°(0.6), 35.0°(1.0), 36.6°(0.09), 42.5°(0.62), 47.8°(0.13), 51.2°(0.18), 55.9°(0.31), 57.3°(0.09), 61.6°(0.21), 64.8°(0.21), 72.9°(0.22), 77.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-92381 | 4.26 4.26 5.76
111 111 90
Ho 0.000 0.000 0.000
Ge 0.629 0.629 0.258
Ge 0.371 0.371 0.742
Ru 0.750 0.250 0.500
Ru 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: ZrZnCo2.
The XRD pattern shows main peaks at: 41.6°(1.0), 44.7°(0.43), 55.4°(0.11), 65.1°(0.13), 73.8°(0.18), 80.3°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190653 | 4.05 4.05 3.32
90 90 90
Zn 0.500 0.000 0.500
Co -0.000 0.000 0.000
Co 0.500 0.500 0.000
Zr 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiCuS.
The XRD pattern shows main peaks at: 17.4°(0.09), 20.8°(1.0), 24.7°(0.06), 27.3°(0.33), 27.7°(0.16), 32.5°(0.2), 37.5°(0.37), 38.3°(0.21), 41.3°(0.1), 47.9°(0.07), 48.7°(0.34), 54.1°(0.08), 54.6°(0.21), 64.5°(0.06), 67.4°(0.11), 68.2°(0.08), 76.7°(0.08).
Generate atomic structure descrip... | JVASP-52297 | 4.70 7.57 7.57
95 108 71
Li 0.250 0.154 0.154
Li 0.904 0.846 0.154
Li 0.596 0.154 0.846
Li 0.250 0.846 0.846
Cu 0.901 0.197 0.500
Cu 0.598 0.500 0.197
Cu 0.902 0.500 0.803
Cu 0.599 0.803 0.500
S 0.750 0.202 0.201
S 0.451 0.799 0.202
S 0.049 0.201 0.798
S 0.750 0.798 0.799 |
Below is a description of a material. | The chemical formula is: Os.
The XRD pattern shows main peaks at: 37.5°(0.26), 41.3°(0.25), 43.0°(1.0), 57.0°(0.14), 67.7°(0.19), 76.6°(0.19), 82.5°(0.22), 83.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14744 | 2.77 2.77 4.37
90 90 119
Os 0.667 0.333 0.750
Os 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: TaBeGe2.
The XRD pattern shows main peaks at: 20.2°(0.37), 26.1°(0.42), 34.3°(0.19), 39.2°(0.15), 40.1°(1.0), 41.0°(0.23), 49.2°(0.27), 53.7°(0.11), 54.5°(0.11), 56.6°(0.1), 64.6°(0.06), 66.0°(0.21), 72.2°(0.09), 74.1°(0.17), 85.9°(0.23), 86.5°(0.11).
Generate atomic structure description with ... | JVASP-71677 | 5.12 5.12 5.12
137 137 61
Ta 0.500 0.500 0.000
Be 0.750 0.250 0.500
Ge 0.000 0.000 0.000
Ge 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Li2Ni3TeO8.
The XRD pattern shows main peaks at: 18.5°(1.0), 34.8°(0.25), 36.6°(0.15), 37.5°(0.16), 41.9°(0.38), 45.8°(0.15), 48.5°(0.09), 55.7°(0.11), 61.5°(0.06), 63.0°(0.1), 64.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-48309 | 5.79 6.16 5.79
59 117 120
Li 0.500 0.500 0.500
Li -0.000 0.500 0.000
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000
Ni 0.000 0.500 0.500
Te 0.000 0.000 0.000
O 0.747 0.311 0.253
O 0.771 0.233 0.757
O 0.243 0.233 0.229
O 0.754 0.743 0.246
O 0.246 0.257 0.754
O 0.757 0.767 0.771
O 0.229 0.767 0.243
O 0.253 0.689 0.747 |
Below is a description of a material. | The chemical formula is: MnSn.
The XRD pattern shows main peaks at: 28.2°(0.18), 40.3°(1.0), 50.0°(0.06), 58.4°(0.18), 66.1°(0.09), 73.4°(0.35), 87.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36320 | 3.16 3.16 3.16
90 90 90
Mn 0.000 0.000 0.000
Sn 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaNdAgS3.
The XRD pattern shows main peaks at: 12.8°(0.48), 16.8°(0.11), 21.2°(0.42), 23.7°(0.17), 25.8°(0.45), 27.9°(0.78), 28.8°(0.13), 30.0°(0.99), 33.5°(1.0), 33.9°(0.77), 38.7°(0.32), 43.0°(0.77), 48.4°(0.1), 50.9°(0.16), 52.0°(0.19), 52.4°(0.22), 55.9°(0.27), 57.9°(0.14), 62.5°(0.3), 70.8... | JVASP-152212 | 7.21 7.21 10.57
90 90 146
Ba 0.747 0.253 0.750
Ba 0.253 0.747 0.250
Nd 0.000 0.000 0.000
Nd 0.000 0.000 0.500
Ag 0.470 0.530 0.750
Ag 0.530 0.470 0.250
S 0.362 0.638 0.944
S 0.638 0.362 0.444
S 0.362 0.638 0.556
S 0.638 0.362 0.056
S 0.080 0.920 0.750
S 0.920 0.080 0.250 |
Below is a description of a material. | The chemical formula is: Be2FeNi.
The XRD pattern shows main peaks at: 15.5°(0.94), 31.2°(0.08), 38.7°(0.98), 47.8°(1.0), 50.7°(0.4), 53.4°(0.16), 65.1°(0.06), 72.1°(0.2), 74.6°(0.13), 76.2°(0.07), 86.9°(0.11), 87.4°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69526 | 2.54 2.54 5.73
90 90 90
Be 0.000 0.000 0.009
Be 0.500 0.500 0.228
Fe 0.000 0.000 0.479
Ni 0.500 0.500 0.784 |
Below is a description of a material. | The chemical formula is: Li3AsO4.
The XRD pattern shows main peaks at: 16.4°(0.25), 21.7°(0.87), 22.8°(1.0), 24.3°(0.6), 28.3°(0.3), 33.0°(0.39), 36.1°(0.36), 37.8°(0.29), 40.7°(0.09), 42.5°(0.19), 46.6°(0.14), 47.1°(0.09), 48.1°(0.14), 49.7°(0.13), 52.1°(0.09), 56.3°(0.12), 58.8°(0.11), 59.2°(0.22), 66.0°(0.25), 71.3°... | JVASP-10493 | 4.98 5.40 6.28
90 90 90
Li 0.005 0.167 0.500
Li 0.505 0.833 0.000
Li 0.005 0.668 0.248
Li 0.505 0.332 0.252
Li 0.505 0.332 0.748
Li 0.005 0.668 0.752
As 0.498 0.830 0.500
As 0.998 0.170 0.000
O 0.651 0.175 0.000
O 0.151 0.825 0.500
O 0.111 0.321 0.225
O 0.611 0.679 0.275
O 0.611 0.679 0.725
O 0.111 0.321 0.775
O 0.109 ... |
Below is a description of a material. | The chemical formula is: DyMoClO4.
The XRD pattern shows main peaks at: 13.6°(0.59), 18.2°(0.47), 24.6°(1.0), 25.8°(0.56), 27.3°(0.1), 28.2°(0.12), 28.9°(0.56), 29.5°(0.56), 30.7°(0.14), 33.8°(0.12), 34.9°(0.42), 35.9°(0.25), 41.7°(0.17), 43.2°(0.14), 46.1°(0.43), 46.4°(0.23), 47.1°(0.21), 50.3°(0.36), 59.2°(0.14), 60.... | JVASP-119307 | 6.27 6.27 6.84
75 75 70
Dy 0.778 0.778 0.109
Dy 0.222 0.222 0.891
Mo 0.363 0.363 0.270
Mo 0.637 0.637 0.730
Cl 0.009 0.009 0.239
Cl 0.991 0.991 0.761
O 0.110 0.490 0.153
O 0.490 0.110 0.153
O 0.295 0.295 0.536
O 0.510 0.890 0.847
O 0.705 0.705 0.464
O 0.890 0.510 0.847
O 0.542 0.542 0.202
O 0.458 0.458 0.798 |
Below is a description of a material. | The chemical formula is: V3Pt.
The XRD pattern shows main peaks at: 23.2°(0.54), 33.1°(0.5), 40.8°(1.0), 47.5°(0.52), 53.6°(0.25), 59.1°(0.19), 69.5°(0.32), 74.4°(0.13), 79.1°(0.08), 83.9°(0.35), 88.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51457 | 3.83 3.83 3.83
90 90 90
V 0.500 0.500 0.000
V 0.500 0.000 0.500
V 0.000 0.500 0.500
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: V2FeS4.
The XRD pattern shows main peaks at: 16.5°(0.12), 17.8°(0.65), 28.7°(0.43), 31.0°(0.18), 31.6°(0.37), 34.6°(0.19), 35.5°(0.81), 36.0°(0.43), 37.3°(0.35), 43.1°(0.28), 45.0°(0.34), 46.0°(0.6), 47.1°(1.0), 48.5°(0.44), 53.0°(0.19), 55.6°(0.5), 56.7°(0.36), 61.7°(0.13), 69.9°(0.12), 75.1°(... | JVASP-57157 | 3.25 5.77 6.21
115 105 90
V 0.740 0.687 0.479
V 0.260 0.313 0.521
Fe 0.000 0.000 0.000
S 0.103 0.438 0.206
S 0.897 0.562 0.794
S 0.633 0.975 0.265
S 0.367 0.025 0.735 |
Below is a description of a material. | The chemical formula is: LiBC.
The XRD pattern shows main peaks at: 25.5°(1.0), 37.9°(0.06), 46.2°(0.82), 52.4°(0.22), 68.4°(0.25), 74.3°(0.09), 86.5°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-63810 | 2.74 2.74 6.99
90 90 119
Li 0.000 0.000 0.000
Li 0.000 0.000 0.500
B 0.333 0.667 0.750
B 0.667 0.333 0.250
C 0.333 0.667 0.250
C 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: CeGe2Ru2.
The XRD pattern shows main peaks at: 17.8°(0.07), 34.2°(0.6), 34.7°(1.0), 36.1°(0.08), 42.2°(0.61), 47.3°(0.17), 50.6°(0.14), 55.4°(0.3), 61.3°(0.19), 64.0°(0.2), 72.4°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101281 | 4.28 4.28 5.83
111 111 89
Ce 0.000 0.000 0.000
Ge 0.630 0.630 0.260
Ge 0.370 0.370 0.740
Ru 0.750 0.250 0.500
Ru 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: KEuS2.
The XRD pattern shows main peaks at: 12.1°(0.69), 24.4°(0.16), 25.5°(0.24), 26.4°(0.34), 30.0°(1.0), 32.5°(0.09), 38.4°(0.19), 41.7°(0.38), 44.3°(0.34), 46.1°(0.16), 48.9°(0.1), 50.0°(0.06), 51.2°(0.14), 52.8°(0.09), 54.4°(0.18), 62.4°(0.1), 69.0°(0.14), 72.7°(0.14), 79.7°(0.11).
Generat... | JVASP-85153 | 4.09 4.09 7.67
74 74 60
K 0.000 0.000 0.000
Eu 0.500 0.500 0.500
S 0.236 0.236 0.293
S 0.764 0.764 0.707 |
Below is a description of a material. | The chemical formula is: Ho2OsRh.
The XRD pattern shows main peaks at: 37.5°(1.0), 54.1°(0.18), 67.7°(0.36), 80.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106527 | 4.80 4.80 4.80
60 60 60
Ho 0.250 0.250 0.250
Ho 0.750 0.750 0.750
Os 0.500 0.500 0.500
Rh 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TcAsPt2.
The XRD pattern shows main peaks at: 24.4°(0.16), 40.4°(1.0), 47.8°(0.09), 58.5°(0.18), 73.5°(0.35), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75866 | 4.46 4.46 4.46
60 60 60
Tc 0.750 0.750 0.750
As 0.500 0.500 0.500
Pt 0.000 0.000 0.000
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: BaLaCoSbO6.
The XRD pattern shows main peaks at: 18.9°(0.07), 31.0°(1.0), 31.5°(0.48), 38.4°(0.09), 43.7°(0.16), 45.1°(0.28), 54.9°(0.2), 55.7°(0.41), 64.6°(0.18), 65.7°(0.07), 72.4°(0.09), 74.6°(0.1), 82.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-107365 | 5.77 5.77 5.77
120 120 88
Ba 0.750 0.250 0.500
La 0.250 0.750 0.500
Co 0.000 0.000 0.000
Sb 0.500 0.500 -0.000
O 0.817 0.326 0.103
O 0.223 0.715 0.897
O 0.285 0.183 0.508
O 0.674 0.777 0.492
O 0.255 0.255 0.000
O 0.745 0.745 -0.000 |
Below is a description of a material. | The chemical formula is: K2BrCl.
The XRD pattern shows main peaks at: 11.9°(0.08), 23.0°(0.09), 24.0°(0.06), 27.8°(1.0), 30.4°(0.07), 39.8°(0.72), 49.3°(0.22), 57.5°(0.12), 65.1°(0.29), 72.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-105474 | 7.86 7.86 7.86
33 33 33
K 0.254 0.254 0.254
K 0.746 0.746 0.746
Br 0.500 0.500 0.500
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: La6OsI10.
The XRD pattern shows main peaks at: 9.6°(0.29), 10.0°(0.3), 11.0°(0.13), 11.8°(0.12), 19.5°(0.06), 23.6°(0.13), 24.0°(0.11), 24.5°(0.1), 27.8°(1.0), 28.5°(0.77), 39.2°(0.37), 40.3°(0.77), 41.3°(0.28), 48.3°(0.13), 49.1°(0.14), 50.2°(0.15), 57.2°(0.09), 57.7°(0.09), 64.2°(0.06), 65.6°... | JVASP-159394 | 11.65 8.05 9.93
73 54 69
La 0.586 0.526 0.700
La 0.320 0.872 0.538
La 0.680 0.128 0.462
La 0.251 0.382 0.788
La 0.749 0.618 0.212
La 0.414 0.474 0.300
Os 0.500 0.500 0.500
I 0.314 0.410 0.058
I 0.966 0.223 0.120
I 0.866 0.693 0.412
I 0.221 0.873 0.303
I 0.779 0.127 0.697
I 0.592 0.051 0.221
I 0.408 0.949 0.779
I 0.034 ... |
Below is a description of a material. | The chemical formula is: Mn3Be.
The XRD pattern shows main peaks at: 29.4°(0.37), 42.1°(0.11), 47.4°(1.0), 52.2°(0.22), 69.3°(0.05), 77.0°(0.14), 80.8°(0.17), 84.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188658 | 4.29 4.29 4.29
90 90 90
Be 0.000 0.000 0.000
Be 0.500 0.500 0.500
Mn 0.750 0.500 -0.000
Mn 0.250 0.500 0.000
Mn 0.000 0.750 0.500
Mn -0.000 0.250 0.500
Mn 0.500 0.000 0.250
Mn 0.500 0.000 0.750 |
Below is a description of a material. | The chemical formula is: MnCdO3.
The XRD pattern shows main peaks at: 23.6°(0.07), 33.7°(1.0), 41.6°(0.17), 48.4°(0.34), 60.2°(0.33), 70.8°(0.18), 80.8°(0.14), 85.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36609 | 3.76 3.76 3.76
90 90 90
Mn 0.500 0.500 0.500
Cd 0.000 0.000 0.000
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: Na4CO4.
The XRD pattern shows main peaks at: 18.4°(0.34), 20.1°(0.48), 23.8°(0.45), 30.6°(0.14), 33.6°(0.14), 34.2°(1.0), 37.9°(0.38), 40.6°(0.22), 41.0°(0.23), 44.4°(0.32), 48.4°(0.31), 49.4°(0.39), 50.9°(0.13), 51.4°(0.16), 53.5°(0.09), 54.7°(0.14), 56.3°(0.18), 57.2°(0.12), 61.2°(0.1), 72.2°... | JVASP-7778 | 5.39 5.25 5.27
119 112 90
Na 0.466 0.748 0.682
Na 0.534 0.066 0.318
Na 0.882 0.490 0.264
Na 0.118 0.226 0.736
C -0.000 0.774 -0.000
O 0.110 0.842 0.831
O 0.890 0.011 0.169
O 0.215 0.726 0.227
O 0.785 0.499 0.773 |
Below is a description of a material. | The chemical formula is: TmIO.
The XRD pattern shows main peaks at: 9.6°(0.41), 30.2°(1.0), 32.7°(0.48), 37.4°(0.23), 39.1°(0.05), 46.9°(0.21), 49.5°(0.05), 51.9°(0.15), 56.8°(0.36), 60.6°(0.14), 61.5°(0.11), 62.7°(0.06), 68.5°(0.07), 70.6°(0.07), 76.7°(0.07), 78.0°(0.08).
Generate atomic structure description with lat... | JVASP-3807 | 3.87 3.87 9.20
90 90 90
Tm 0.500 0.000 0.116
Tm 0.000 0.500 0.884
I 0.500 0.000 0.678
I 0.000 0.500 0.322
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: MoO3.
The XRD pattern shows main peaks at: 23.5°(1.0), 33.4°(0.21), 48.2°(0.19), 54.5°(0.13), 59.8°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11507 | 5.30 5.38 7.55
89 89 89
Mo 0.473 0.005 0.975
Mo 0.957 0.490 0.991
Mo 0.973 0.495 0.475
Mo 0.457 0.009 0.491
O 0.299 0.292 0.544
O 0.801 0.213 0.468
O 0.224 0.789 0.969
O 0.720 0.711 0.044
O 0.724 0.711 0.469
O 0.220 0.789 0.543
O 0.799 0.208 0.044
O 0.301 0.287 0.967
O 0.938 0.489 0.758
O 0.438 0.011 0.258
O 0.088 0.51... |
Below is a description of a material. | The chemical formula is: Li3PrBi2.
The XRD pattern shows main peaks at: 11.8°(0.08), 23.7°(0.08), 24.9°(1.0), 32.5°(0.43), 38.3°(0.38), 42.4°(0.22), 45.6°(0.09), 46.2°(0.2), 48.6°(0.06), 51.1°(0.12), 58.5°(0.1), 61.5°(0.17), 63.5°(0.16), 65.6°(0.12), 66.5°(0.07), 69.2°(0.07), 72.1°(0.11), 87.3°(0.07), 89.1°(0.07).
Gene... | JVASP-35933 | 4.70 4.70 7.50
90 90 120
Li 0.333 0.667 0.648
Li 0.667 0.333 0.352
Li 0.000 0.000 0.500
Pr 0.000 0.000 0.000
Bi 0.333 0.667 0.256
Bi 0.667 0.333 0.744 |
Below is a description of a material. | The chemical formula is: Ag2Te.
The XRD pattern shows main peaks at: 23.0°(0.52), 25.5°(0.12), 36.4°(0.58), 38.8°(1.0), 43.5°(0.18), 52.5°(0.21), 59.3°(0.06), 67.1°(0.38), 71.7°(0.16), 77.4°(0.06), 83.2°(0.11), 88.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108812 | 4.68 4.68 4.68
116 116 96
Ag 0.750 0.250 0.500
Ag 0.250 0.750 0.500
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TlXe.
The XRD pattern shows main peaks at: 12.5°(0.08), 25.2°(0.35), 27.0°(0.27), 29.8°(1.0), 37.2°(0.22), 47.3°(0.28), 47.7°(0.2), 54.7°(0.25), 57.3°(0.17), 59.2°(0.06), 69.5°(0.09), 72.9°(0.12), 77.7°(0.13), 88.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-127304 | 3.81 3.81 7.08
90 90 119
Tl 0.667 0.333 0.750
Xe 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: BaInGa.
The XRD pattern shows main peaks at: 29.6°(1.0), 30.1°(0.16), 33.9°(0.24), 35.1°(0.28), 36.7°(0.34), 46.9°(0.09), 48.1°(0.07), 49.6°(0.19), 57.8°(0.11), 58.2°(0.09), 59.7°(0.06), 62.6°(0.07), 64.1°(0.06), 67.8°(0.05).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-101233 | 6.43 6.43 8.37
49 49 46
Ba 0.750 0.750 0.695
Ba 0.250 0.250 0.305
In 0.576 0.576 0.256
In 0.424 0.424 0.744
Ga 0.064 0.064 0.088
Ga 0.936 0.936 0.912 |
Below is a description of a material. | The chemical formula is: RhSe.
The XRD pattern shows main peaks at: 27.3°(0.34), 31.6°(0.47), 42.3°(1.0), 48.3°(0.56), 56.3°(0.11), 58.9°(0.09), 66.1°(0.33), 79.5°(0.07), 85.9°(0.43).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19886 | 3.77 3.77 5.66
90 90 119
Rh 0.000 0.000 0.500
Rh 0.000 0.000 0.000
Se 0.333 0.667 0.250
Se 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Lu4Ge6Rh7.
The XRD pattern shows main peaks at: 30.5°(0.35), 37.5°(1.0), 43.6°(0.67), 63.4°(0.37), 76.1°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11462 | 7.19 7.19 7.19
109 109 109
Lu 0.500 0.500 0.500
Lu 0.000 0.500 0.000
Lu 0.000 0.000 0.500
Lu 0.500 0.000 0.000
Ge -0.000 0.317 0.317
Ge 0.000 0.683 0.683
Ge 0.683 0.000 0.683
Ge 0.683 0.683 0.000
Ge 0.317 0.317 -0.000
Ge 0.317 -0.000 0.317
Rh 0.500 0.750 0.250
Rh 0.250 0.500 0.750
Rh 0.250 0.750 0.500
Rh 0.500 0.250 0.... |
Below is a description of a material. | The chemical formula is: Ce.
The XRD pattern shows main peaks at: 33.8°(1.0), 48.5°(0.17), 60.5°(0.34), 71.1°(0.11), 81.1°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15847 | 3.25 3.25 3.25
109 109 109
Ce 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PaMn2Ga.
The XRD pattern shows main peaks at: 24.6°(0.33), 28.5°(0.25), 40.7°(1.0), 48.1°(0.17), 50.4°(0.08), 58.9°(0.16), 66.7°(0.05), 74.1°(0.31), 88.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102541 | 4.43 4.43 4.43
60 60 60
Pa 0.000 0.000 0.000
Mn 0.750 0.750 0.750
Mn 0.250 0.250 0.250
Ga 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiCrPO4F.
The XRD pattern shows main peaks at: 18.2°(0.28), 18.9°(0.64), 22.5°(0.21), 26.3°(0.21), 26.9°(0.21), 27.5°(1.0), 29.6°(0.68), 35.4°(0.11), 35.9°(0.15), 36.7°(0.31), 41.7°(0.12), 42.4°(0.12), 45.6°(0.11), 46.1°(0.1), 47.1°(0.15), 51.2°(0.15), 54.1°(0.1), 55.5°(0.18), 56.5°(0.13), 57.0... | JVASP-12687 | 5.13 5.29 7.15
106 108 98
Li 0.269 0.619 0.196
Li 0.731 0.381 0.804
Cr 0.000 0.000 0.000
Cr 0.000 0.000 0.500
P 0.321 0.642 0.762
P 0.679 0.358 0.238
O 0.313 0.337 0.659
O 0.687 0.663 0.341
O 0.371 0.237 0.073
O 0.748 0.218 0.400
O 0.629 0.763 0.927
O 0.252 0.782 0.600
O 0.111 0.660 0.882
O 0.889 0.340 0.118
F 0.132 0.... |
Below is a description of a material. | The chemical formula is: PaRh3.
The XRD pattern shows main peaks at: 21.9°(0.14), 31.2°(0.11), 38.4°(1.0), 44.6°(0.46), 50.2°(0.07), 55.4°(0.05), 65.0°(0.3), 78.1°(0.35), 82.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18770 | 4.06 4.06 4.06
90 90 90
Pa 0.000 0.000 0.000
Rh 0.500 0.000 0.500
Rh 0.000 0.500 0.500
Rh 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TeW2Se2S.
The XRD pattern shows main peaks at: 2.3°(1.0), 4.6°(0.17), 11.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28890 | 3.35 3.35 38.03
90 90 120
Te 0.667 0.333 0.419
Te 0.667 0.333 0.520
W 0.333 0.667 0.094
W 0.333 0.667 0.470
W 0.667 0.333 0.282
W 0.667 0.333 0.658
Se 0.333 0.667 0.702
Se 0.667 0.333 0.050
Se 0.667 0.333 0.138
Se 0.333 0.667 0.614
S 0.333 0.667 0.322
S 0.333 0.667 0.242 |
Below is a description of a material. | The chemical formula is: U2Mo2C3.
The XRD pattern shows main peaks at: 18.6°(0.15), 27.5°(0.33), 29.1°(0.27), 30.6°(0.31), 32.0°(0.47), 32.5°(0.47), 34.3°(0.28), 35.4°(0.93), 37.1°(1.0), 37.7°(0.1), 43.4°(0.17), 48.9°(0.13), 50.3°(0.25), 57.2°(0.19), 57.7°(0.17), 58.7°(0.12), 63.1°(0.1), 63.6°(0.13), 64.1°(0.15), 67.8°... | JVASP-35381 | 3.20 5.63 6.14
110 105 90
U 0.396 0.186 0.791
U 0.604 0.814 0.209
Mo 0.154 0.337 0.308
Mo 0.846 0.663 0.692
C 0.250 0.754 0.500
C 0.750 0.246 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: K2RhBr6.
The XRD pattern shows main peaks at: 15.1°(0.37), 17.4°(0.45), 30.4°(0.97), 35.3°(1.0), 39.6°(0.23), 50.7°(0.65), 60.3°(0.38), 63.3°(0.24), 74.6°(0.11), 85.3°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155325 | 7.20 7.20 7.20
120 120 60
K 0.750 0.750 0.250
K 0.250 0.250 0.750
Rh 0.000 0.000 0.000
Br 0.245 0.245 0.245
Br 0.755 0.245 0.245
Br 0.245 0.755 0.245
Br 0.755 0.755 0.755
Br 0.755 0.245 0.755
Br 0.245 0.755 0.755 |
Below is a description of a material. | The chemical formula is: DyInIr.
The XRD pattern shows main peaks at: 23.7°(0.15), 26.5°(0.1), 33.0°(0.82), 35.8°(1.0), 36.6°(0.32), 41.7°(0.5), 43.4°(0.4), 46.1°(0.27), 63.9°(0.29), 67.1°(0.35), 77.3°(0.12), 78.6°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-91313 | 7.51 7.51 3.94
90 90 120
Dy 0.595 0.595 0.000
Dy 0.405 -0.000 0.000
Dy 0.000 0.405 0.000
In 0.000 0.742 0.500
In 0.258 0.258 0.500
In 0.742 -0.000 0.500
Ir 0.000 0.000 0.000
Ir 0.667 0.333 0.500
Ir 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Er3Cu3Sb4.
The XRD pattern shows main peaks at: 29.6°(0.53), 35.2°(1.0), 42.4°(0.39), 61.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-171132 | 8.25 8.25 8.25
109 109 109
Er 0.375 0.750 0.625
Er 0.125 0.250 0.875
Er 0.750 0.625 0.375
Er 0.250 0.875 0.125
Er 0.625 0.375 0.750
Er 0.875 0.125 0.250
Cu 0.875 0.750 0.125
Cu 0.625 0.250 0.375
Cu 0.750 0.125 0.875
Cu 0.250 0.375 0.625
Cu 0.125 0.875 0.750
Cu 0.375 0.625 0.250
Sb 0.162 0.000 0.500
Sb 0.000 0.500 0.162... |
Below is a description of a material. | The chemical formula is: MgAl2Se.
The XRD pattern shows main peaks at: 16.2°(0.18), 24.3°(0.33), 32.7°(0.39), 33.7°(0.14), 36.6°(1.0), 46.8°(0.28), 53.4°(0.08), 58.2°(0.23), 58.9°(0.06), 60.9°(0.21), 68.3°(0.08), 77.8°(0.11), 80.1°(0.19), 87.1°(0.08).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-178956 | 6.13 6.13 6.13
143 143 53
Mg -0.000 0.000 -0.000
Al 0.250 0.750 0.500
Al 0.750 0.250 0.500
Se 0.500 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: MnH2O2.
The XRD pattern shows main peaks at: 20.6°(0.84), 28.9°(0.37), 35.8°(1.0), 51.2°(0.37), 51.8°(0.44), 55.7°(0.28), 64.0°(0.16), 72.7°(0.14), 75.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102837 | 3.57 3.57 4.30
90 90 119
Mn 0.333 0.667 0.968
H 0.000 0.000 0.021
H 0.667 0.333 0.435
O 0.000 0.000 0.790
O 0.667 0.333 0.208 |
Below is a description of a material. | The chemical formula is: Tm3Cu4Si4.
The XRD pattern shows main peaks at: 22.7°(0.18), 24.0°(0.24), 25.7°(0.09), 27.5°(0.11), 29.0°(0.17), 35.9°(1.0), 37.1°(0.81), 39.9°(0.14), 40.7°(0.15), 44.3°(0.27), 46.5°(0.28), 56.7°(0.05), 58.3°(0.12), 60.0°(0.14), 61.1°(0.07), 61.7°(0.08), 66.1°(0.24).
Generate atomic structure d... | JVASP-166106 | 4.09 6.50 7.79
114 105 90
Tm 0.871 0.371 0.741
Tm 0.129 0.629 0.259
Tm -0.000 -0.000 -0.000
Cu 0.331 0.639 0.663
Cu 0.669 0.361 0.337
Cu 0.331 0.023 0.663
Cu 0.669 0.977 0.337
Si 0.216 0.216 0.432
Si 0.784 0.784 0.568
Si 0.500 0.686 0.000
Si 0.500 0.314 -0.000 |
Below is a description of a material. | The chemical formula is: RbPdCl.
The XRD pattern shows main peaks at: 11.4°(0.2), 23.9°(1.0), 26.6°(0.12), 33.4°(0.07), 34.1°(0.39), 34.8°(0.17), 36.1°(0.05), 42.6°(0.36), 49.0°(0.13), 49.5°(0.25), 55.2°(0.19), 61.4°(0.12), 66.9°(0.2), 81.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-115919 | 3.72 3.72 7.74
90 90 90
Rb 0.000 0.000 0.660
Pd 0.000 0.000 -0.005
Cl 0.000 0.000 0.296 |
Below is a description of a material. | The chemical formula is: BeIn.
The XRD pattern shows main peaks at: 22.8°(0.74), 30.0°(0.77), 38.0°(1.0), 42.9°(0.33), 46.5°(0.13), 49.2°(0.34), 56.4°(0.23), 62.3°(0.1), 65.2°(0.18), 67.3°(0.14), 70.7°(0.12), 75.4°(0.25), 80.6°(0.1), 81.2°(0.09), 88.3°(0.07), 89.0°(0.13).
Generate atomic structure description with latt... | JVASP-129480 | 2.98 2.98 3.90
90 90 90
Be 0.500 0.500 0.500
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ce2MgGe2.
The XRD pattern shows main peaks at: 16.9°(0.16), 24.0°(0.13), 26.9°(0.08), 31.6°(0.26), 33.9°(1.0), 38.4°(0.19), 41.2°(0.16), 44.0°(0.06), 50.8°(0.1), 52.4°(0.07), 55.2°(0.15), 56.7°(0.06), 57.6°(0.11), 67.4°(0.09), 68.7°(0.07), 70.4°(0.11), 71.9°(0.07), 78.3°(0.06).
Generate atomic ... | JVASP-151642 | 7.41 7.41 4.38
90 90 90
Ce 0.177 0.677 0.500
Ce 0.823 0.323 0.500
Ce 0.323 0.177 0.500
Ce 0.677 0.823 0.500
Mg 0.000 0.000 0.000
Mg 0.500 0.500 0.000
Ge 0.377 0.877 0.000
Ge 0.623 0.123 0.000
Ge 0.123 0.377 0.000
Ge 0.877 0.623 0.000 |
Below is a description of a material. | The chemical formula is: GaPt3.
The XRD pattern shows main peaks at: 31.9°(0.1), 37.9°(0.22), 39.5°(1.0), 45.3°(0.2), 46.3°(0.25), 66.8°(0.16), 67.5°(0.06), 79.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41932 | 5.55 5.55 5.61
119 119 89
Ga 0.257 0.757 0.486
Ga 0.757 0.257 0.486
Pt 0.213 0.713 0.986
Pt 0.301 0.213 0.986
Pt 0.713 0.801 0.986
Pt 0.801 0.301 0.986
Pt 0.257 0.257 0.486
Pt 0.757 0.757 0.486 |
Below is a description of a material. | The chemical formula is: Tl2PdSe2.
The XRD pattern shows main peaks at: 23.8°(0.41), 27.6°(0.68), 29.0°(0.12), 29.9°(0.63), 31.4°(0.2), 32.1°(1.0), 34.7°(0.13), 36.8°(0.87), 37.8°(0.16), 38.6°(0.25), 46.9°(0.15), 48.8°(0.24), 49.7°(0.18), 51.2°(0.2), 53.2°(0.12), 55.9°(0.17), 57.0°(0.18), 58.3°(0.21), 70.0°(0.09), 72.2... | JVASP-25438 | 3.73 6.19 11.38
90 90 90
Tl 0.000 0.612 0.153
Tl 0.000 0.388 0.847
Tl 0.000 0.112 0.347
Tl 0.000 0.888 0.653
Pd 0.000 0.000 0.000
Pd 0.000 0.500 0.500
Se 0.500 0.681 0.389
Se 0.500 0.319 0.611
Se 0.500 0.181 0.111
Se 0.500 0.819 0.889 |
Below is a description of a material. | The chemical formula is: MgSb.
The XRD pattern shows main peaks at: 21.7°(0.36), 25.8°(0.48), 34.0°(1.0), 36.8°(0.44), 43.1°(0.23), 44.2°(0.13), 51.9°(0.14), 53.1°(0.14), 58.0°(0.1), 58.8°(0.21), 59.9°(0.09), 64.5°(0.33), 71.5°(0.11), 74.7°(0.1), 77.4°(0.09), 88.2°(0.07).
Generate atomic structure description with latt... | JVASP-78545 | 3.45 3.45 4.10
90 90 90
Mg 0.000 0.000 0.000
Sb 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ZrAl5Pd.
The XRD pattern shows main peaks at: 20.9°(0.77), 24.8°(0.06), 26.4°(0.13), 29.8°(0.16), 33.9°(0.48), 40.2°(1.0), 42.6°(0.46), 47.9°(0.16), 50.8°(0.09), 54.3°(0.07), 55.5°(0.21), 58.8°(0.09), 61.9°(0.13), 63.1°(0.07), 71.3°(0.13), 75.3°(0.09), 76.4°(0.28), 86.8°(0.08), 87.8°(0.06).
Gen... | JVASP-190471 | 4.24 4.24 6.76
90 90 90
Zr -0.000 0.000 0.000
Pd -0.000 0.000 0.500
Al 0.500 0.000 0.708
Al -0.000 0.500 0.708
Al 0.500 0.500 0.000
Al 0.000 0.500 0.292
Al 0.500 0.000 0.292 |
Below is a description of a material. | The chemical formula is: Be2NbHg.
The XRD pattern shows main peaks at: 13.2°(0.39), 26.5°(0.65), 30.7°(0.93), 33.5°(0.19), 41.0°(1.0), 44.0°(0.39), 46.1°(0.09), 51.5°(0.06), 52.1°(0.42), 54.6°(0.11), 64.0°(0.32), 70.5°(0.17), 72.6°(0.34), 78.8°(0.3), 88.9°(0.11).
Generate atomic structure description with lattice lengt... | JVASP-65122 | 2.91 2.91 6.72
90 90 90
Be 0.000 0.000 0.754
Be 0.000 0.000 0.246
Nb 0.500 0.500 0.500
Hg 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ba2LiReN4.
The XRD pattern shows main peaks at: 15.5°(0.35), 19.3°(0.69), 21.4°(0.16), 22.1°(0.56), 28.6°(1.0), 28.9°(0.58), 29.2°(0.62), 29.6°(0.91), 31.2°(0.49), 33.1°(0.16), 34.8°(0.53), 36.4°(0.56), 37.2°(0.28), 41.9°(0.59), 45.4°(0.16), 48.4°(0.22), 51.9°(0.18), 56.0°(0.22), 57.8°(0.24), 6... | JVASP-10695 | 6.55 6.03 7.53
90 109 90
Ba 0.266 0.250 0.946
Ba 0.734 0.750 0.054
Ba 0.812 0.750 0.579
Ba 0.188 0.250 0.421
Li 0.349 0.750 0.635
Li 0.651 0.250 0.365
Re 0.706 0.250 0.785
Re 0.294 0.750 0.215
N 0.472 0.507 0.266
N 0.528 0.007 0.734
N 0.528 0.493 0.734
N 0.472 0.993 0.266
N 0.120 0.750 0.368
N 0.880 0.250 0.632
N 0.128... |
Below is a description of a material. | The chemical formula is: Ca3Mg.
The XRD pattern shows main peaks at: 29.9°(1.0), 33.1°(0.37), 37.5°(0.13), 47.5°(0.12), 50.9°(0.2), 57.2°(0.26), 62.1°(0.1), 63.0°(0.09), 82.6°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-81990 | 4.79 5.41 5.41
90 90 90
Ca 0.000 0.000 -0.083
Ca 0.500 0.000 0.417
Ca 0.500 0.500 0.917
Mg 0.000 0.500 0.417 |
Below is a description of a material. | The chemical formula is: Be2NbNi.
The XRD pattern shows main peaks at: 14.8°(0.1), 29.8°(0.64), 32.6°(0.92), 36.0°(0.08), 44.8°(1.0), 46.8°(0.45), 56.5°(0.4), 61.9°(0.08), 68.4°(0.13), 71.8°(0.19), 76.3°(0.15), 77.8°(0.13), 81.1°(0.15), 85.5°(0.29).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-68746 | 2.74 2.74 5.99
90 90 90
Be 0.000 0.000 0.695
Be 0.000 0.000 0.305
Nb 0.500 0.500 0.000
Ni 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TeMo2Se2S.
The XRD pattern shows main peaks at: 3.3°(1.0), 10.0°(0.07), 13.3°(0.5), 16.7°(0.07), 30.8°(0.47), 33.7°(0.06), 35.2°(0.13), 54.8°(0.35), 56.7°(0.07), 64.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-28600 | 3.35 3.35 26.57
89 90 120
Te 0.334 0.668 0.822
Te 0.334 0.668 0.679
Mo 0.333 0.666 0.013
Mo 0.334 0.668 0.489
Mo 0.666 0.332 0.251
Mo 0.667 0.335 0.751
Se 0.666 0.332 0.950
Se 0.667 0.335 0.426
Se 0.666 0.332 0.075
Se 0.667 0.335 0.552
S 0.333 0.665 0.308
S 0.333 0.665 0.194 |
Below is a description of a material. | The chemical formula is: NaTi6Se8.
The XRD pattern shows main peaks at: 10.4°(1.0), 30.6°(0.66), 31.6°(0.93), 32.4°(0.65), 37.4°(0.92), 38.2°(0.58), 44.6°(0.8), 50.2°(0.26), 53.3°(0.48), 60.6°(0.23), 64.8°(0.08), 84.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-119165 | 9.81 9.81 3.63
90 90 120
Na 0.000 0.000 0.500
Ti 0.129 0.492 0.749
Ti 0.508 0.637 0.749
Ti 0.363 0.871 0.749
Ti 0.871 0.508 0.251
Ti 0.492 0.363 0.251
Ti 0.637 0.129 0.251
Se 0.667 0.333 0.750
Se 0.333 0.667 0.250
Se 0.296 0.343 0.751
Se 0.657 0.952 0.751
Se 0.048 0.704 0.751
Se 0.704 0.657 0.249
Se 0.343 0.048 0.249
S... |
Below is a description of a material. | The chemical formula is: GaCu2.
The XRD pattern shows main peaks at: 41.1°(0.61), 44.5°(1.0), 59.5°(0.2), 69.7°(0.06), 77.2°(0.36), 84.2°(0.13), 89.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-192998 | 3.11 3.11 4.60
109 109 90
Cu 0.669 0.669 0.338
Cu 0.331 0.331 0.662
Ga -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: TlGa3.
The XRD pattern shows main peaks at: 18.6°(0.23), 21.1°(0.31), 21.8°(0.37), 27.9°(0.59), 28.6°(1.0), 29.5°(0.38), 36.4°(0.59), 37.8°(0.33), 41.7°(0.59), 43.1°(0.68), 44.1°(0.39), 44.5°(0.2), 46.6°(0.22), 47.6°(0.2), 58.8°(0.17), 60.8°(0.11), 63.8°(0.11), 69.2°(0.12), 74.6°(0.1), 75.8°(0.... | JVASP-130391 | 4.77 4.77 4.78
87 92 117
Tl 0.135 0.865 0.899
Ga 0.365 0.635 0.413
Ga 0.825 0.175 0.111
Ga 0.675 0.325 0.578 |
Below is a description of a material. | The chemical formula is: MgBePd2.
The XRD pattern shows main peaks at: 14.7°(0.64), 29.6°(0.07), 32.5°(0.98), 41.2°(0.58), 41.8°(1.0), 44.0°(0.17), 45.0°(0.16), 51.6°(0.05), 59.7°(0.19), 61.9°(0.06), 62.7°(0.23), 69.2°(0.07), 69.7°(0.2), 75.5°(0.32), 76.6°(0.09), 77.8°(0.12), 86.4°(0.11), 89.5°(0.06).
Generate atomic s... | JVASP-74067 | 3.10 3.10 6.04
90 90 90
Mg 0.500 0.500 0.752
Be 0.000 0.000 0.435
Pd 0.000 0.000 0.003
Pd 0.500 0.500 0.309 |
Below is a description of a material. | The chemical formula is: KUSiHO6.
The XRD pattern shows main peaks at: 14.2°(1.0), 16.8°(0.28), 18.8°(0.37), 21.1°(0.22), 25.4°(0.4), 25.9°(0.31), 28.0°(0.18), 28.6°(0.23), 29.2°(0.4), 30.5°(0.46), 30.8°(0.38), 37.4°(0.14), 38.6°(0.11), 41.1°(0.15), 42.6°(0.09), 46.7°(0.09), 48.0°(0.18), 49.4°(0.08), 51.6°(0.09), 54.3°... | JVASP-142316 | 7.02 6.64 6.51
73 90 90
K 0.685 0.784 0.560
K 0.185 0.216 0.440
U 0.044 0.857 0.030
U 0.544 0.143 0.970
Si 0.536 0.640 0.089
Si 0.036 0.360 0.911
H 0.553 0.390 0.424
H 0.053 0.610 0.576
O 0.557 0.486 0.937
O 0.057 0.514 0.063
O 0.512 0.095 0.263
O 0.012 0.905 0.737
O 0.220 0.202 0.931
O 0.571 0.174 0.679
O 0.869 0.182 ... |
Below is a description of a material. | The chemical formula is: SrIr2.
The XRD pattern shows main peaks at: 19.8°(0.42), 32.7°(0.06), 38.5°(1.0), 40.3°(0.68), 46.9°(0.2), 51.4°(0.1), 62.2°(0.31), 68.5°(0.32), 81.4°(0.1), 82.6°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-14654 | 5.48 5.48 5.48
60 59 60
Sr 0.125 0.125 0.125
Sr 0.875 0.875 0.875
Ir 0.000 0.500 0.500
Ir 0.500 0.000 0.500
Ir 0.500 0.500 -0.000
Ir 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TiMo2S4.
The XRD pattern shows main peaks at: 14.7°(1.0), 16.9°(0.29), 25.8°(0.14), 29.7°(0.2), 31.6°(0.41), 34.6°(0.69), 35.8°(0.12), 41.0°(0.2), 42.3°(0.18), 43.1°(0.41), 44.0°(0.22), 44.6°(0.54), 46.2°(0.21), 49.5°(0.12), 54.0°(0.22), 57.0°(0.14), 57.4°(0.18), 61.5°(0.1), 75.0°(0.08).
Genera... | JVASP-35380 | 3.21 6.01 6.76
112 103 90
Ti 0.000 0.000 0.000
Mo 0.259 0.314 0.517
Mo 0.741 0.686 0.483
S 0.109 0.444 0.218
S 0.891 0.556 0.782
S 0.363 0.028 0.725
S 0.637 0.972 0.275 |
Below is a description of a material. | The chemical formula is: ZnPS4.
The XRD pattern shows main peaks at: 19.3°(0.45), 20.6°(0.82), 30.6°(1.0), 32.8°(0.08), 34.5°(0.18), 36.0°(0.18), 36.7°(0.35), 41.1°(0.1), 41.8°(0.12), 46.4°(0.22), 48.2°(0.33), 50.1°(0.29), 52.4°(0.11), 53.8°(0.11), 54.7°(0.23), 62.4°(0.16), 65.7°(0.08), 66.1°(0.08), 66.6°(0.09), 87.8°(... | JVASP-114415 | 6.00 6.00 6.00
120 131 79
Zn 0.000 0.500 0.500
P 0.000 0.000 0.000
S 0.636 0.662 0.549
S 0.364 0.912 0.025
S 0.887 0.338 -0.025
S 0.113 0.088 0.451 |
Below is a description of a material. | The chemical formula is: BeCoP2.
The XRD pattern shows main peaks at: 13.2°(1.0), 26.7°(0.21), 32.0°(0.24), 34.8°(0.36), 40.5°(0.07), 42.2°(0.5), 45.9°(0.42), 48.0°(0.15), 52.5°(0.51), 53.9°(0.11), 62.9°(0.07), 67.0°(0.14), 77.8°(0.06), 82.4°(0.14), 88.2°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-70747 | 2.79 2.79 6.69
90 90 90
Be 0.000 0.000 0.537
Co 0.500 0.500 0.714
P 0.000 0.000 0.903
P 0.500 0.500 0.346 |
Below is a description of a material. | The chemical formula is: Zr3CoSe6.
The XRD pattern shows main peaks at: 14.6°(0.12), 31.3°(1.0), 40.8°(0.74), 48.7°(0.4), 53.4°(0.12), 59.1°(0.16), 61.1°(0.06), 65.4°(0.12), 80.0°(0.12), 81.8°(0.08), 85.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-110520 | 7.12 7.12 7.12
54 54 54
Zr 0.500 0.500 0.500
Zr 0.168 0.168 0.168
Zr 0.832 0.832 0.832
Co 0.000 0.000 0.000
Se 0.922 0.593 0.256
Se 0.256 0.922 0.593
Se 0.593 0.256 0.922
Se 0.407 0.744 0.078
Se 0.744 0.078 0.407
Se 0.078 0.407 0.744 |
Below is a description of a material. | The chemical formula is: Rb2TaAgCl6.
The XRD pattern shows main peaks at: 14.9°(0.08), 17.2°(0.29), 24.4°(1.0), 34.8°(0.61), 39.1°(0.13), 43.0°(0.43), 50.0°(0.38), 56.4°(0.2), 62.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106445 | 7.29 7.29 7.29
60 60 60
Rb 0.750 0.750 0.750
Rb 0.250 0.250 0.250
Ta 0.500 0.500 0.500
Ag 0.000 0.000 0.000
Cl 0.740 0.260 0.260
Cl 0.260 0.260 0.740
Cl 0.260 0.740 0.740
Cl 0.260 0.740 0.260
Cl 0.740 0.260 0.740
Cl 0.740 0.740 0.260 |
Below is a description of a material. | The chemical formula is: TaMnGe.
The XRD pattern shows main peaks at: 25.0°(0.15), 27.5°(0.23), 31.8°(0.24), 37.5°(1.0), 40.9°(0.89), 42.5°(0.37), 48.5°(0.19), 51.3°(0.22), 59.2°(0.21), 65.3°(0.3), 68.8°(0.16), 73.3°(0.12), 78.9°(0.21), 82.1°(0.16), 87.5°(0.09), 89.6°(0.09).
Generate atomic structure description with l... | JVASP-89934 | 3.56 6.50 6.50
120 90 90
Ta 0.500 0.588 -0.000
Ta 0.500 0.412 0.412
Ta 0.500 0.000 0.588
Mn 0.000 0.248 0.000
Mn 0.000 0.752 0.752
Mn 0.000 -0.000 0.248
Ge 0.000 0.333 0.667
Ge 0.000 0.667 0.333
Ge 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: TaVCu6Se8.
The XRD pattern shows main peaks at: 11.1°(0.08), 15.8°(0.58), 27.5°(0.69), 29.7°(0.05), 35.7°(0.33), 45.6°(1.0), 48.6°(0.14), 54.1°(0.3), 59.2°(0.08), 66.5°(0.15), 73.4°(0.08), 84.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-170361 | 5.63 7.96 7.96
90 90 90
Ta -0.000 -0.000 -0.000
V -0.000 0.500 0.500
Cu -0.000 0.252 0.252
Cu -0.000 0.748 0.748
Cu -0.000 0.252 0.748
Cu -0.000 0.748 0.252
Cu 0.500 -0.000 -0.000
Cu 0.500 0.500 0.500
Se 0.755 0.500 0.744
Se 0.746 -0.000 0.255
Se 0.755 0.500 0.256
Se 0.746 -0.000 0.745
Se 0.254 0.745 -0.000
Se 0.245 0.... |
Below is a description of a material. | The chemical formula is: ScAlRh2.
The XRD pattern shows main peaks at: 28.7°(0.34), 41.0°(1.0), 50.8°(0.09), 59.4°(0.17), 67.3°(0.12), 74.8°(0.3), 89.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40626 | 4.40 4.40 4.40
60 60 60
Sc 0.750 0.750 0.750
Al 0.250 0.250 0.250
Rh 0.000 0.000 0.000
Rh 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SrCoO2.
The XRD pattern shows main peaks at: 17.3°(0.08), 32.1°(1.0), 35.0°(0.35), 38.4°(0.69), 52.9°(0.42), 55.4°(0.22), 60.9°(0.21), 65.5°(0.27), 67.2°(0.2), 82.2°(0.06), 86.4°(0.07), 86.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182875 | 3.32 3.32 5.13
90 90 90
Sr 0.500 0.500 0.524
Co 0.000 0.000 0.056
O 0.000 0.000 0.427
O 0.500 0.500 0.003 |
Below is a description of a material. | The chemical formula is: Hf5NiSb3.
The XRD pattern shows main peaks at: 31.2°(0.11), 31.9°(0.21), 33.5°(0.11), 35.7°(0.91), 36.4°(0.67), 37.8°(1.0), 46.9°(0.1), 53.4°(0.28), 56.4°(0.16), 56.9°(0.12), 58.5°(0.21), 59.4°(0.13), 65.1°(0.1), 66.3°(0.08), 71.7°(0.08), 76.9°(0.17).
Generate atomic structure description with ... | JVASP-112521 | 8.56 8.56 5.73
90 90 120
Hf 0.667 0.333 0.500
Hf -0.000 0.745 0.750
Hf 0.255 0.255 0.750
Hf 0.000 0.255 0.250
Hf 0.255 0.000 0.250
Hf 0.745 -0.000 0.750
Hf 0.667 0.333 0.000
Hf 0.333 0.667 0.000
Hf 0.333 0.667 0.500
Hf 0.745 0.745 0.250
Ni 0.000 0.000 0.000
Ni 0.000 0.000 0.500
Sb 0.389 -0.000 0.750
Sb 0.389 0.389 0.25... |
Below is a description of a material. | The chemical formula is: LiCuPO4.
The XRD pattern shows main peaks at: 19.4°(0.44), 22.1°(0.22), 24.2°(0.29), 26.4°(0.17), 32.2°(0.38), 35.0°(1.0), 37.2°(0.37), 43.7°(0.2), 45.0°(0.12), 47.7°(0.06), 49.5°(0.26), 50.5°(0.08), 54.3°(0.14), 59.2°(0.13), 59.8°(0.1), 60.7°(0.11), 64.5°(0.3), 67.6°(0.08), 69.5°(0.05), 72.5°(... | JVASP-50078 | 4.90 4.90 6.19
90 90 69
Li 0.327 0.327 0.750
Li 0.673 0.673 0.250
Cu 0.000 0.000 0.000
Cu 0.000 0.000 0.500
P 0.349 0.349 0.250
P 0.651 0.651 0.750
O 0.242 0.242 0.044
O 0.242 0.242 0.456
O 0.245 0.692 0.250
O 0.308 0.755 0.750
O 0.692 0.245 0.250
O 0.755 0.308 0.750
O 0.758 0.758 0.956
O 0.758 0.758 0.544 |
Below is a description of a material. | The chemical formula is: ScGaIr2.
The XRD pattern shows main peaks at: 28.5°(0.37), 40.8°(1.0), 50.5°(0.11), 59.0°(0.18), 66.8°(0.14), 74.2°(0.36), 88.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-167352 | 4.43 4.43 4.43
60 59 60
Sc 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Ir 0.500 0.500 0.500
Ir -0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: MnP2O7.
The XRD pattern shows main peaks at: 15.1°(0.93), 23.0°(0.76), 23.6°(1.0), 24.0°(1.0), 28.7°(0.06), 30.4°(0.07), 32.4°(0.31), 33.7°(0.3), 34.4°(0.13), 36.6°(0.24), 37.3°(0.11), 40.3°(0.21), 41.8°(0.07), 45.2°(0.12), 49.1°(0.05), 49.9°(0.05), 57.4°(0.05), 58.4°(0.09), 66.1°(0.07).
Genera... | JVASP-145762 | 4.92 6.53 7.99
68 87 87
Mn 0.761 0.795 0.270
Mn 0.239 0.205 0.730
P 0.284 0.463 0.309
P 0.716 0.537 0.691
P 0.240 0.108 0.166
P 0.760 0.892 0.834
O 0.704 0.877 0.026
O 0.438 0.946 0.299
O 0.562 0.054 0.701
O 0.827 0.711 0.517
O 0.422 0.474 0.681
O 0.296 0.123 0.974
O 0.095 0.664 0.229
O 0.173 0.289 0.483
O 0.706 0.649 ... |
Below is a description of a material. | The chemical formula is: La2Mn3FeSi4.
The XRD pattern shows main peaks at: 23.7°(0.46), 31.4°(0.07), 33.9°(0.75), 35.9°(1.0), 45.1°(0.41), 48.7°(0.2), 51.5°(0.12), 57.6°(0.4), 65.6°(0.13), 68.5°(0.14), 76.0°(0.12), 77.1°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-102204 | 4.02 4.02 10.55
90 90 90
La 0.500 0.000 0.753
La 0.000 0.500 0.247
Mn 0.000 0.000 0.500
Mn 0.000 0.000 0.000
Mn 0.500 0.500 0.500
Fe 0.500 0.500 0.000
Si 0.000 0.500 0.885
Si 0.500 0.000 0.379
Si 0.500 0.000 0.115
Si 0.000 0.500 0.621 |
Below is a description of a material. | The chemical formula is: Te2AuCl.
The XRD pattern shows main peaks at: 14.5°(0.17), 17.7°(0.81), 29.2°(0.37), 30.7°(1.0), 32.6°(0.12), 37.3°(0.13), 38.5°(0.2), 41.1°(0.11), 44.1°(0.45), 48.0°(0.46), 51.2°(0.06), 53.9°(0.13), 54.3°(0.14), 55.0°(0.08), 62.0°(0.06), 66.4°(0.13), 72.6°(0.12), 73.1°(0.08), 81.3°(0.08), 84.2... | JVASP-14342 | 4.09 6.44 8.79
90 90 108
Te 0.610 0.221 0.952
Te 0.390 0.779 0.048
Te 0.390 0.779 0.452
Te 0.610 0.221 0.548
Au 0.910 0.820 0.250
Au 0.090 0.180 0.750
Cl 0.165 0.330 0.250
Cl 0.835 0.670 0.750 |
Below is a description of a material. | The chemical formula is: KNa4Cl5.
The XRD pattern shows main peaks at: 26.7°(0.05), 30.8°(1.0), 31.2°(0.45), 44.2°(0.33), 64.2°(0.09), 72.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108767 | 14.61 14.61 14.61
163 163 22
K 0.000 0.000 0.000
Na 0.396 0.396 0.000
Na 0.798 0.798 0.000
Na 0.202 0.202 -0.000
Na 0.604 0.604 -0.000
Cl 0.106 0.106 -0.000
Cl 0.500 0.500 0.000
Cl 0.894 0.894 0.000
Cl 0.299 0.299 0.000
Cl 0.701 0.701 -0.000 |
Below is a description of a material. | The chemical formula is: PPt3.
The XRD pattern shows main peaks at: 22.4°(0.23), 31.9°(0.19), 39.3°(1.0), 45.7°(0.49), 51.5°(0.11), 56.8°(0.07), 66.7°(0.33), 71.3°(0.05), 80.2°(0.37), 84.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128090 | 3.97 3.97 3.97
90 90 90
P 0.000 0.000 0.000
Pt 0.000 0.500 0.500
Pt 0.500 0.000 0.500
Pt 0.500 0.500 0.000 |
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