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: BaMg2P2.
The XRD pattern shows main peaks at: 11.6°(0.29), 23.5°(0.17), 26.3°(1.0), 33.4°(0.58), 35.4°(0.12), 41.3°(0.34), 42.9°(0.22), 49.6°(0.17), 54.0°(0.21), 55.5°(0.19), 66.4°(0.15), 70.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-2757 | 4.38 4.38 7.61
90 90 120
Ba 0.000 0.000 0.000
Mg 0.667 0.333 0.377
Mg 0.333 0.667 0.623
P 0.667 0.333 0.723
P 0.333 0.667 0.277 |
Below is a description of a material. | The chemical formula is: Li3Fe2Si2O8.
The XRD pattern shows main peaks at: 22.0°(1.0), 24.5°(0.18), 27.7°(0.13), 28.3°(0.14), 33.2°(0.38), 34.4°(0.63), 37.2°(0.1), 41.7°(0.15), 47.7°(0.1), 48.3°(0.1), 50.3°(0.06), 58.3°(0.12), 60.5°(0.19), 61.0°(0.2), 75.9°(0.05).
Generate atomic structure description with lattice leng... | JVASP-143933 | 5.22 6.34 5.22
89 92 90
Li 0.817 0.250 0.817
Li 0.689 0.500 0.311
Li 0.311 0.000 0.689
Fe 0.318 0.510 0.676
Fe 0.676 0.990 0.318
Si 0.182 0.250 0.182
Si 0.827 0.750 0.827
O 0.770 0.750 0.133
O 0.132 0.750 0.770
O 0.866 0.242 0.212
O 0.212 0.258 0.866
O 0.312 0.460 0.313
O 0.313 0.040 0.312
O 0.696 0.533 0.700
O 0.700 0... |
Below is a description of a material. | The chemical formula is: Co6O7F5.
The XRD pattern shows main peaks at: 26.1°(1.0), 29.7°(0.83), 36.9°(0.92), 39.9°(0.18), 40.8°(0.12), 42.4°(0.06), 43.4°(0.11), 53.4°(0.62), 57.5°(0.43), 61.7°(0.13), 62.5°(0.08), 68.1°(0.07), 70.5°(0.35), 89.4°(0.05).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-42285 | 4.55 4.55 8.69
90 90 97
Co 0.010 0.990 0.008
Co 0.010 0.990 0.326
Co 0.001 0.999 0.667
Co 0.461 0.539 0.167
Co 0.506 0.494 0.835
Co 0.506 0.494 0.498
O 0.692 0.698 0.332
O 0.692 0.698 0.002
O 0.701 0.694 0.667
O 0.302 0.308 0.002
O 0.302 0.308 0.332
O 0.185 0.815 0.167
O 0.306 0.299 0.667
F 0.813 0.187 0.841
F 0.193 0.... |
Below is a description of a material. | The chemical formula is: BH2O2.
The XRD pattern shows main peaks at: 16.7°(0.87), 31.6°(0.92), 33.8°(0.09), 35.9°(1.0), 38.4°(0.3), 47.0°(0.14), 48.9°(0.13), 54.4°(0.12), 68.6°(0.08), 70.4°(0.07), 76.1°(0.05), 82.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-119913 | 3.10 3.10 5.30
89 89 65
B 0.500 0.500 0.000
H 0.544 0.544 0.588
H 0.456 0.456 0.412
O 0.649 0.649 0.808
O 0.351 0.351 0.192 |
Below is a description of a material. | The chemical formula is: BeH2O2.
The XRD pattern shows main peaks at: 24.0°(0.36), 26.2°(0.06), 30.4°(0.19), 35.9°(0.52), 37.4°(0.92), 40.7°(1.0), 42.0°(0.33), 52.8°(0.15), 54.0°(0.09), 63.6°(0.1), 66.5°(0.23), 69.7°(0.06), 76.2°(0.1), 78.9°(0.15), 80.0°(0.08), 84.8°(0.05).
Generate atomic structure description with la... | JVASP-54742 | 4.81 4.81 5.85
90 90 90
Be 0.081 0.669 0.875
Be 0.581 0.831 0.125
Be 0.419 0.331 0.375
Be 0.919 0.169 0.625
H 0.825 0.743 0.553
H 0.325 0.757 0.447
H 0.175 0.243 0.947
H 0.675 0.257 0.053
H 0.493 0.076 0.697
H 0.507 0.576 0.803
H 0.007 0.924 0.197
H -0.007 0.424 0.303
O 0.474 0.669 0.357
O 0.919 0.775 0.107
O 0.419 0.7... |
Below is a description of a material. | The chemical formula is: Hf4BeRh.
The XRD pattern shows main peaks at: 19.7°(0.7), 32.5°(0.05), 38.3°(1.0), 40.1°(0.77), 46.6°(0.26), 51.1°(0.18), 61.9°(0.31), 68.1°(0.3), 71.6°(0.13), 80.9°(0.11), 82.0°(0.3), 86.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69470 | 5.51 5.51 5.51
60 60 60
Hf 0.126 0.625 0.625
Hf 0.625 0.625 0.625
Hf 0.625 0.126 0.625
Hf 0.625 0.625 0.126
Be 0.000 0.000 0.000
Rh 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: KCSN.
The XRD pattern shows main peaks at: 26.8°(0.15), 27.6°(0.14), 29.9°(0.18), 30.8°(1.0), 32.4°(0.48), 36.3°(0.18), 38.2°(0.12), 43.0°(0.14), 47.9°(0.14), 49.3°(0.14), 55.6°(0.09), 61.2°(0.07), 62.6°(0.08), 64.5°(0.09), 67.5°(0.07).
Generate atomic structure description with lattice lengths... | JVASP-9978 | 6.64 6.68 7.39
90 90 90
K 0.750 0.805 0.500
K 0.250 0.195 0.000
K 0.250 0.195 0.500
K 0.750 0.805 0.000
C 0.712 0.232 0.250
C 0.788 0.232 0.750
C 0.288 0.768 0.750
C 0.212 0.768 0.250
S 0.890 0.399 0.250
S 0.610 0.399 0.750
S 0.390 0.601 0.250
S 0.110 0.601 0.750
N 0.082 0.890 0.250
N 0.418 0.890 0.750
N 0.582 0.110 0.... |
Below is a description of a material. | The chemical formula is: RbPdS.
The XRD pattern shows main peaks at: 17.2°(0.08), 25.0°(0.12), 30.5°(1.0), 34.9°(0.2), 43.4°(0.06), 44.0°(0.32), 54.5°(0.18), 57.3°(0.27), 59.8°(0.13), 72.5°(0.16), 77.2°(0.07), 80.9°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-184819 | 4.12 4.12 5.14
90 90 120
Rb 0.000 0.000 0.000
Pd 0.333 0.667 0.500
S 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Ru.
The XRD pattern shows main peaks at: 41.0°(1.0), 47.7°(0.48), 69.7°(0.31), 84.2°(0.34), 88.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-16085 | 2.70 2.70 2.70
60 59 60
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg6CrCd.
The XRD pattern shows main peaks at: 16.4°(0.33), 17.9°(0.17), 24.3°(0.28), 28.5°(0.06), 33.1°(0.31), 33.8°(0.07), 36.2°(0.23), 37.8°(1.0), 48.1°(0.06), 49.8°(0.2), 59.1°(0.15), 66.1°(0.17), 71.2°(0.16), 72.3°(0.13).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-92878 | 6.25 6.26 4.97
90 90 120
Mg 0.667 0.331 0.250
Mg 0.667 0.836 0.250
Mg 0.328 0.171 0.750
Mg 0.328 0.657 0.750
Mg 0.842 0.171 0.750
Mg 0.834 0.667 0.750
Cr 0.165 0.332 0.250
Cd 0.169 0.834 0.250 |
Below is a description of a material. | The chemical formula is: CaSiPd.
The XRD pattern shows main peaks at: 16.8°(0.77), 20.0°(0.21), 22.2°(0.45), 22.9°(0.23), 25.4°(0.18), 28.2°(0.49), 33.7°(1.0), 34.3°(0.59), 35.9°(0.56), 36.5°(0.53), 37.5°(0.3), 37.9°(0.79), 40.5°(0.87), 41.7°(0.18), 44.5°(0.21), 46.4°(0.16), 49.6°(0.18), 58.5°(0.18), 59.3°(0.31), 68.9°... | JVASP-87118 | 5.75 5.89 7.43
109 90 90
Ca 0.128 0.321 0.116
Ca 0.372 0.821 0.616
Ca 0.872 0.679 0.884
Ca 0.628 0.179 0.384
Si 0.620 0.171 0.957
Si 0.380 0.829 0.043
Si 0.120 0.329 0.543
Si 0.880 0.671 0.457
Pd 0.611 0.578 0.191
Pd 0.389 0.422 0.809
Pd 0.889 0.078 0.691
Pd 0.111 0.922 0.309 |
Below is a description of a material. | The chemical formula is: TiPd2.
The XRD pattern shows main peaks at: 29.2°(0.2), 38.9°(0.62), 41.7°(1.0), 56.2°(0.2), 58.3°(0.06), 64.4°(0.06), 72.4°(0.4), 77.8°(0.13), 83.6°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35759 | 3.27 3.27 4.92
109 109 90
Ti 0.000 0.000 0.000
Pd 0.657 0.657 0.315
Pd 0.343 0.343 0.685 |
Below is a description of a material. | The chemical formula is: Tm2MgGe2.
The XRD pattern shows main peaks at: 17.5°(0.16), 21.3°(0.09), 24.9°(0.16), 27.9°(0.12), 33.0°(0.24), 35.3°(1.0), 39.8°(0.18), 43.3°(0.14), 52.7°(0.11), 54.4°(0.08), 57.5°(0.17), 59.0°(0.07), 60.3°(0.11), 70.5°(0.09), 71.9°(0.07), 74.3°(0.12), 74.9°(0.07), 81.7°(0.06).
Generate atomic... | JVASP-41532 | 7.16 7.16 4.18
90 90 90
Tm 0.177 0.323 0.500
Tm 0.323 0.823 0.500
Tm 0.677 0.177 0.500
Tm 0.823 0.677 0.500
Mg 0.000 0.000 0.000
Mg 0.500 0.500 0.000
Ge 0.125 0.625 0.000
Ge 0.375 0.125 0.000
Ge 0.625 0.875 0.000
Ge 0.875 0.375 0.000 |
Below is a description of a material. | The chemical formula is: Na4CuAs2O8.
The XRD pattern shows main peaks at: 12.8°(0.1), 15.8°(0.39), 18.9°(1.0), 21.8°(0.15), 23.4°(0.38), 25.2°(0.28), 25.8°(0.18), 31.4°(0.5), 32.3°(0.87), 32.8°(0.9), 36.0°(0.36), 37.0°(0.64), 40.0°(0.15), 44.6°(0.36), 46.9°(0.33), 53.2°(0.15), 54.6°(0.1), 57.4°(0.22), 59.5°(0.12), 61.1... | JVASP-60874 | 4.90 5.91 6.98
97 90 106
Na 0.285 0.567 0.168
Na 0.715 0.433 0.832
Na 0.843 0.748 0.417
Na 0.157 0.252 0.583
Cu 0.000 0.000 0.000
As 0.597 0.196 0.267
As 0.403 0.804 0.733
O 0.686 0.271 0.509
O 0.314 0.729 0.491
O 0.672 0.937 0.165
O 0.328 0.063 0.835
O 0.227 0.144 0.244
O 0.773 0.856 0.756
O 0.762 0.438 0.156
O 0.238 ... |
Below is a description of a material. | The chemical formula is: MgZr.
The XRD pattern shows main peaks at: 15.8°(0.35), 23.3°(0.61), 29.4°(0.25), 31.8°(0.09), 33.5°(0.31), 34.5°(0.51), 36.3°(0.74), 37.9°(1.0), 46.0°(0.13), 47.4°(0.23), 48.9°(0.22), 57.8°(0.21), 61.0°(0.13), 63.0°(0.14), 64.0°(0.21), 66.3°(0.06), 69.1°(0.26), 71.0°(0.07), 72.0°(0.1), 73.1°(0... | JVASP-80499 | 5.20 3.04 5.62
90 90 90
Mg 0.750 0.000 0.161
Mg 0.250 0.000 0.839
Zr 0.250 0.500 0.345
Zr 0.750 0.500 0.655 |
Below is a description of a material. | The chemical formula is: CdAg2O2.
The XRD pattern shows main peaks at: 32.1°(0.23), 32.8°(0.06), 35.0°(0.21), 35.6°(0.38), 37.5°(1.0), 42.3°(0.06), 51.2°(0.29), 56.8°(0.28), 65.7°(0.12), 68.5°(0.18), 70.1°(0.14), 80.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-138137 | 7.92 7.92 7.92
23 23 23
Cd 0.000 0.000 0.000
Ag 0.789 0.789 0.789
Ag 0.211 0.211 0.211
O 0.393 0.393 0.393
O 0.607 0.607 0.607 |
Below is a description of a material. | The chemical formula is: NaHSeO4.
The XRD pattern shows main peaks at: 15.9°(0.11), 18.2°(0.21), 19.6°(0.21), 21.4°(1.0), 22.6°(0.48), 23.8°(0.31), 25.8°(0.21), 26.3°(0.42), 26.9°(0.59), 28.7°(0.25), 29.5°(0.25), 32.2°(0.51), 35.5°(0.21), 38.3°(0.09), 39.9°(0.12), 43.6°(0.19), 44.9°(0.1), 55.8°(0.11), 56.8°(0.1), 60.7°... | JVASP-172630 | 5.14 5.64 6.49
87 73 82
Na 0.034 0.745 0.839
Na 0.982 0.242 0.155
H 0.467 0.966 0.483
H 0.955 0.505 0.522
Se 0.381 0.698 0.249
Se 0.632 0.272 0.728
O 0.715 0.622 0.158
O 0.307 0.371 0.839
O 0.250 0.870 0.083
O 0.782 0.124 0.895
O 0.218 0.463 0.338
O 0.782 0.538 0.654
O 0.312 0.865 0.488
O 0.694 0.123 0.498 |
Below is a description of a material. | The chemical formula is: Pd3Cl.
The XRD pattern shows main peaks at: 22.0°(0.13), 31.3°(0.11), 38.6°(1.0), 44.9°(0.52), 50.6°(0.06), 65.4°(0.33), 78.6°(0.37), 82.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126463 | 4.04 4.04 4.04
90 90 90
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.500
Pd 0.000 0.500 0.000
Cl 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PuV.
The XRD pattern shows main peaks at: 26.8°(0.49), 38.3°(1.0), 47.4°(0.16), 55.3°(0.18), 62.5°(0.22), 69.3°(0.37), 82.1°(0.11), 88.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122972 | 3.32 3.32 3.32
90 90 90
Pu 0.000 0.000 0.000
V 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: DyFe2Si2.
The XRD pattern shows main peaks at: 24.3°(0.59), 31.9°(0.1), 36.3°(0.57), 37.2°(1.0), 37.8°(0.16), 45.8°(0.38), 53.4°(0.16), 59.7°(0.28), 60.8°(0.16), 66.7°(0.13), 67.9°(0.19), 78.9°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-15484 | 3.97 3.97 5.52
111 111 90
Dy 0.000 0.000 0.000
Fe 0.250 0.750 0.500
Fe 0.750 0.250 0.500
Si 0.634 0.634 0.269
Si 0.366 0.366 0.731 |
Below is a description of a material. | The chemical formula is: TbMoClO4.
The XRD pattern shows main peaks at: 13.5°(0.68), 18.1°(0.54), 24.5°(1.0), 25.7°(0.59), 27.2°(0.11), 28.0°(0.11), 28.8°(0.57), 29.3°(0.61), 30.6°(0.15), 33.6°(0.13), 34.7°(0.4), 35.8°(0.28), 41.5°(0.19), 43.0°(0.16), 45.8°(0.47), 46.2°(0.25), 46.9°(0.21), 50.1°(0.44), 58.9°(0.15), 59.... | JVASP-56706 | 6.30 6.30 6.87
76 76 70
Tb 0.222 0.222 0.891
Tb 0.778 0.778 0.109
Mo 0.363 0.363 0.270
Mo 0.637 0.637 0.730
Cl 0.009 0.009 0.238
Cl 0.991 0.991 0.762
O 0.294 0.294 0.535
O 0.510 0.888 0.847
O 0.706 0.706 0.465
O 0.458 0.458 0.797
O 0.112 0.490 0.153
O 0.888 0.510 0.847
O 0.490 0.112 0.153
O 0.542 0.542 0.203 |
Below is a description of a material. | The chemical formula is: CoB.
The XRD pattern shows main peaks at: 35.5°(0.34), 37.5°(1.0), 52.6°(0.9), 67.7°(0.22), 75.2°(0.05), 78.9°(0.16), 80.1°(0.09), 87.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129139 | 2.77 2.77 2.53
90 90 119
Co 0.667 0.333 0.750
B 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: AgAu3.
The XRD pattern shows main peaks at: 37.6°(1.0), 43.6°(0.5), 63.4°(0.35), 76.1°(0.43), 80.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126869 | 4.15 4.15 4.15
90 90 90
Ag 0.000 0.000 0.000
Au 0.000 0.500 0.500
Au 0.500 0.000 0.500
Au 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: SmSnAu.
The XRD pattern shows main peaks at: 23.2°(0.1), 24.7°(0.09), 32.0°(1.0), 38.1°(0.64), 45.1°(0.12), 47.4°(0.12), 50.6°(0.28), 62.4°(0.33), 65.1°(0.27), 68.9°(0.12), 81.6°(0.08), 87.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93834 | 4.72 4.72 7.68
90 90 120
Sm 0.000 0.000 0.500
Sm 0.000 0.000 0.000
Sn 0.667 0.333 0.250
Sn 0.333 0.667 0.750
Au 0.667 0.333 0.750
Au 0.333 0.667 0.250 |
Below is a description of a material. | The chemical formula is: Lu2CdIn.
The XRD pattern shows main peaks at: 34.7°(1.0), 49.9°(0.18), 62.2°(0.36), 73.3°(0.1), 83.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40085 | 5.17 5.17 5.17
60 60 60
Lu 0.000 0.000 0.000
Lu 0.500 0.500 0.500
Cd 0.250 0.250 0.250
In 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MgRe2As.
The XRD pattern shows main peaks at: 24.3°(0.36), 40.3°(1.0), 47.6°(0.2), 58.3°(0.17), 64.1°(0.09), 73.2°(0.34), 78.5°(0.07), 87.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-75727 | 4.48 4.48 4.48
60 60 60
Mg 0.250 0.250 0.250
Re 0.000 0.000 0.000
Re 0.750 0.750 0.750
As 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li.
The XRD pattern shows main peaks at: 33.9°(0.22), 36.1°(0.27), 38.6°(1.0), 50.4°(0.16), 60.7°(0.16), 66.6°(0.19), 72.7°(0.18), 74.3°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189290 | 3.05 3.05 4.98
90 90 120
Li 0.333 0.667 0.750
Li 0.667 0.333 0.250 |
Below is a description of a material. | The chemical formula is: KBeCd2.
The XRD pattern shows main peaks at: 21.1°(0.57), 34.8°(1.0), 41.1°(0.27), 50.2°(0.12), 54.9°(0.11), 62.5°(0.31), 66.8°(0.07), 73.5°(0.08), 77.6°(0.06), 84.2°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74873 | 5.15 5.15 5.15
120 120 89
K 0.500 0.500 0.000
Be 0.750 0.250 0.500
Cd 0.000 0.000 0.000
Cd 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: AsPb3.
The XRD pattern shows main peaks at: 18.2°(0.09), 25.9°(0.08), 31.8°(1.0), 36.9°(0.52), 53.2°(0.37), 63.3°(0.42), 66.5°(0.13), 78.6°(0.06), 87.2°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126362 | 4.87 4.87 4.87
90 90 90
As 0.000 0.500 0.000
Pb 0.000 0.000 0.500
Pb 0.500 0.500 0.500
Pb 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AlGaRuPt.
The XRD pattern shows main peaks at: 25.3°(0.16), 29.3°(0.33), 41.9°(1.0), 52.0°(0.09), 60.8°(0.18), 76.6°(0.36).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187391 | 4.31 4.31 4.31
60 60 60
Ru 0.250 0.250 0.250
Ga 0.500 0.500 0.500
Pt 0.750 0.750 0.750
Al 0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: BeHgPd.
The XRD pattern shows main peaks at: 15.0°(0.26), 30.2°(0.28), 34.1°(0.24), 37.4°(1.0), 46.1°(0.36), 58.4°(0.17), 61.0°(0.16), 69.5°(0.15), 73.4°(0.13), 73.7°(0.13), 79.7°(0.14), 89.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71376 | 3.04 3.04 5.92
90 90 120
Be 0.000 0.000 0.033
Hg 0.667 0.333 0.687
Pd 0.333 0.667 0.279 |
Below is a description of a material. | The chemical formula is: LaAl2.
The XRD pattern shows main peaks at: 18.8°(0.58), 30.9°(0.98), 36.4°(1.0), 44.3°(0.07), 55.0°(0.4), 58.7°(0.12), 64.5°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93946 | 5.78 5.78 5.78
60 60 60
La 0.875 0.875 0.875
La 0.125 0.125 0.125
Al 0.500 0.500 0.500
Al 0.500 0.500 0.000
Al 0.000 0.500 0.500
Al 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Cr2PO5.
The XRD pattern shows main peaks at: 18.0°(0.22), 27.6°(1.0), 29.4°(0.1), 33.3°(0.06), 36.6°(0.13), 38.1°(0.2), 43.8°(0.26), 47.8°(0.13), 56.1°(0.09), 57.1°(0.29), 66.5°(0.08), 70.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-44402 | 7.16 5.38 5.38
90 67 67
Cr 0.500 -0.000 -0.000
Cr 0.500 0.500 -0.000
Cr -0.000 0.500 0.000
Cr -0.000 0.500 0.500
P 0.750 0.125 0.375
P 0.250 0.875 0.625
O 0.888 0.298 0.306
O 0.612 0.194 0.202
O 0.888 0.815 0.306
O 0.612 0.194 0.685
O 0.250 0.375 0.125
O 0.750 0.625 0.875
O 0.388 0.806 0.315
O 0.112 0.185 0.694
O 0.388... |
Below is a description of a material. | The chemical formula is: Ti4FeCoS8.
The XRD pattern shows main peaks at: 16.0°(0.05), 17.2°(0.55), 27.6°(0.22), 28.5°(0.14), 30.6°(0.5), 34.6°(0.97), 36.0°(0.19), 45.0°(1.0), 45.2°(1.0), 47.8°(0.09), 54.5°(0.7), 66.2°(0.15), 67.7°(0.14), 73.0°(0.23), 73.8°(0.1).
Generate atomic structure description with lattice length... | JVASP-119477 | 5.83 6.46 6.76
105 89 116
Ti 0.734 0.987 0.373
Ti 0.266 0.013 0.627
Ti 0.733 0.986 0.870
Ti 0.267 0.014 0.130
Fe -0.000 0.500 0.000
Co -0.000 0.500 0.500
S 0.959 0.739 0.307
S 0.442 0.726 0.057
S 0.959 0.737 0.812
S 0.444 0.727 0.557
S 0.041 0.263 0.188
S 0.558 0.274 0.943
S 0.041 0.261 0.693
S 0.556 0.273 0.443 |
Below is a description of a material. | The chemical formula is: Ta2NbOs.
The XRD pattern shows main peaks at: 39.3°(1.0), 56.7°(0.12), 71.3°(0.29), 84.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190942 | 3.23 4.59 4.59
90 90 90
Nb 0.500 0.000 -0.000
Os 0.500 0.500 0.500
Ta 0.000 0.000 0.500
Ta 0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Li2Fe5O10.
The XRD pattern shows main peaks at: 13.0°(0.65), 18.8°(1.0), 19.1°(0.4), 23.9°(0.3), 27.9°(0.21), 28.2°(0.18), 30.8°(0.13), 31.3°(0.13), 37.3°(0.11), 38.1°(0.2), 39.1°(0.15), 43.9°(0.53), 45.2°(0.49), 46.2°(0.47), 64.2°(0.12), 64.7°(0.13), 65.4°(0.13), 66.1°(0.12), 66.6°(0.11), 67.1... | JVASP-47788 | 4.95 4.90 7.38
72 73 80
Li 0.504 0.759 0.428
Li 0.496 0.241 0.572
Fe 0.001 0.894 0.685
Fe 0.500 -0.000 0.000
Fe 0.993 0.313 0.893
Fe 0.007 0.687 0.107
Fe -0.001 0.106 0.315
O 0.218 0.338 0.063
O 0.762 0.214 0.764
O 0.793 0.454 0.325
O 0.207 0.546 0.675
O 0.767 0.894 0.531
O 0.782 0.662 0.937
O 0.233 0.106 0.469
O 0.212... |
Below is a description of a material. | The chemical formula is: AcMg.
The XRD pattern shows main peaks at: 21.6°(0.65), 30.8°(1.0), 38.0°(0.23), 44.1°(0.19), 49.7°(0.32), 54.8°(0.39), 64.2°(0.12), 68.6°(0.13), 72.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78729 | 4.11 4.11 5.80
90 44 90
Ac 0.500 0.000 0.996
Mg 0.500 0.500 0.496 |
Below is a description of a material. | The chemical formula is: Ce2CoSi3.
The XRD pattern shows main peaks at: 21.7°(0.06), 25.5°(0.32), 33.7°(1.0), 44.1°(0.11), 45.0°(0.32), 51.7°(0.11), 52.5°(0.05), 57.4°(0.22), 64.9°(0.22), 74.5°(0.1), 75.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-23410 | 8.05 8.05 4.10
90 90 120
Ce 0.500 0.500 0.000
Ce 0.500 0.000 0.000
Ce 0.000 0.500 0.000
Ce 0.000 0.000 0.000
Co 0.333 0.667 0.500
Co 0.667 0.333 0.500
Si 0.341 0.170 0.500
Si 0.170 0.830 0.500
Si 0.170 0.341 0.500
Si 0.659 0.830 0.500
Si 0.830 0.170 0.500
Si 0.830 0.659 0.500 |
Below is a description of a material. | The chemical formula is: SrCrF6.
The XRD pattern shows main peaks at: 24.9°(1.0), 29.7°(0.6), 39.2°(0.23), 40.7°(0.3), 43.9°(0.09), 47.0°(0.78), 51.1°(0.19), 55.4°(0.08), 66.2°(0.1), 67.6°(0.24), 80.7°(0.09), 82.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-26527 | 4.72 4.72 4.72
98 98 98
Sr 0.500 0.500 0.500
Cr 0.000 0.000 0.000
F 0.720 0.720 0.076
F 0.720 0.076 0.720
F 0.280 0.924 0.280
F 0.280 0.280 0.924
F 0.924 0.280 0.280
F 0.076 0.720 0.720 |
Below is a description of a material. | The chemical formula is: Pr2CdAg.
The XRD pattern shows main peaks at: 33.2°(1.0), 47.7°(0.18), 59.3°(0.33), 69.7°(0.11), 79.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37684 | 5.39 5.39 5.39
60 60 60
Pr 0.500 0.500 0.500
Pr 0.000 0.000 0.000
Cd 0.750 0.750 0.750
Ag 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: YMgPd.
The XRD pattern shows main peaks at: 23.9°(0.41), 26.0°(0.21), 27.6°(0.11), 32.7°(0.66), 35.6°(1.0), 36.8°(0.17), 42.0°(0.37), 43.3°(0.34), 44.8°(0.2), 48.9°(0.13), 51.0°(0.11), 51.4°(0.1), 56.2°(0.15), 59.4°(0.09), 63.1°(0.21), 67.3°(0.23), 68.5°(0.1), 76.6°(0.09), 77.6°(0.1), 83.7°(0.0... | JVASP-16809 | 7.45 7.45 4.04
90 90 120
Y 0.412 -0.000 0.500
Y -0.000 0.412 0.500
Y 0.588 0.588 0.500
Mg 0.755 0.000 0.000
Mg 0.245 0.245 0.000
Mg 0.000 0.755 0.000
Pd 0.667 0.333 0.000
Pd 0.333 0.667 0.000
Pd 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Bi5Os.
The XRD pattern shows main peaks at: 6.6°(0.06), 13.2°(0.06), 29.3°(1.0), 33.0°(0.12), 33.5°(0.07), 37.6°(0.41), 45.9°(0.33), 55.4°(0.18), 58.0°(0.09), 60.8°(0.1), 74.7°(0.15), 79.4°(0.1), 85.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and at... | JVASP-131615 | 3.95 3.95 13.38
90 90 120
Bi 0.667 0.333 0.132
Bi 0.667 0.333 0.578
Bi 0.333 0.667 0.368
Bi 0.333 0.667 0.922
Bi 0.000 0.000 0.750
Os 0.000 0.000 0.250 |
Below is a description of a material. | The chemical formula is: DySnPd.
The XRD pattern shows main peaks at: 32.2°(0.3), 33.5°(1.0), 36.1°(0.07), 39.2°(0.57), 50.8°(0.05), 52.3°(0.19), 56.4°(0.11), 59.5°(0.06), 64.1°(0.18), 66.0°(0.09), 67.0°(0.11), 70.6°(0.08), 72.9°(0.11), 73.4°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-152351 | 4.64 7.19 7.95
90 90 90
Dy 0.250 0.009 0.294
Dy 0.750 0.491 0.794
Dy 0.750 0.991 0.706
Dy 0.250 0.509 0.206
Sn 0.250 0.195 0.912
Sn 0.750 0.305 0.412
Sn 0.750 0.805 0.088
Sn 0.250 0.695 0.588
Pd 0.250 0.293 0.583
Pd 0.750 0.207 0.083
Pd 0.750 0.707 0.417
Pd 0.250 0.793 0.917 |
Below is a description of a material. | The chemical formula is: SrSiPt2.
The XRD pattern shows main peaks at: 15.4°(0.48), 23.4°(0.11), 25.1°(0.16), 26.6°(0.26), 29.6°(0.29), 32.2°(1.0), 33.6°(0.27), 34.6°(0.46), 41.3°(0.65), 45.1°(0.52), 47.4°(0.11), 52.5°(0.1), 54.4°(0.14), 54.8°(0.1), 57.3°(0.12), 60.7°(0.21), 62.7°(0.18), 70.9°(0.13), 73.1°(0.11), 74.6°... | JVASP-156223 | 6.10 6.10 7.10
90 90 38
Sr 0.052 0.052 0.250
Sr 0.948 0.948 0.750
Si 0.778 0.778 0.250
Si 0.222 0.222 0.750
Pt 0.329 0.329 0.057
Pt 0.329 0.329 0.443
Pt 0.671 0.671 0.557
Pt 0.671 0.671 0.943 |
Below is a description of a material. | The chemical formula is: KMo3S3.
The XRD pattern shows main peaks at: 11.7°(1.0), 31.2°(0.11), 37.3°(0.28), 40.6°(0.11), 42.4°(0.09), 43.0°(0.05), 46.2°(0.17), 47.8°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-87029 | 8.76 8.76 4.44
90 90 120
K 0.333 0.667 0.750
K 0.667 0.333 0.250
Mo 0.967 0.811 0.250
Mo 0.844 0.033 0.250
Mo 0.156 0.967 0.750
Mo 0.033 0.189 0.750
Mo 0.189 0.156 0.250
Mo 0.811 0.844 0.750
S 0.935 0.642 0.750
S 0.065 0.358 0.250
S 0.293 0.935 0.250
S 0.642 0.707 0.250
S 0.358 0.293 0.750
S 0.707 0.065 0.750 |
Below is a description of a material. | The chemical formula is: NiH2O2.
The XRD pattern shows main peaks at: 20.0°(0.92), 32.8°(0.38), 38.7°(1.0), 53.2°(0.51), 58.6°(0.27), 62.6°(0.21), 72.7°(0.12), 83.1°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103741 | 3.15 3.15 4.44
89 90 119
Ni -0.000 0.937 0.000
H 0.667 0.270 0.555
H 0.333 0.603 0.445
O 0.667 0.270 0.775
O 0.333 0.603 0.225 |
Below is a description of a material. | The chemical formula is: Dy2NiAs2.
The XRD pattern shows main peaks at: 25.9°(0.27), 31.5°(1.0), 35.8°(0.55), 40.7°(0.25), 44.2°(0.67), 55.3°(0.2), 58.1°(0.13), 61.6°(0.07), 73.4°(0.17), 75.8°(0.12), 81.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-167968 | 4.10 4.10 14.21
90 90 120
Dy 0.667 0.333 0.617
Dy 0.333 0.667 0.383
Dy 0.333 0.667 0.117
Dy 0.667 0.333 0.883
Ni -0.000 0.000 0.750
Ni 0.000 -0.000 0.250
As -0.000 -0.000 0.500
As -0.000 -0.000 0.000
As 0.667 0.333 0.250
As 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: Zr5Al3.
The XRD pattern shows main peaks at: 24.4°(0.26), 25.5°(0.31), 32.4°(0.12), 33.3°(0.24), 33.6°(0.79), 34.4°(0.09), 35.3°(0.1), 36.3°(0.58), 37.5°(1.0), 40.7°(0.52), 52.3°(0.13), 54.3°(0.13), 55.9°(0.08), 58.6°(0.14), 59.1°(0.23), 59.7°(0.25), 60.9°(0.18), 62.2°(0.21), 69.9°(0.08), 81.4°... | JVASP-154394 | 8.27 8.27 8.27
96 96 141
Zr 0.780 0.079 0.859
Zr 0.220 0.921 0.141
Zr 0.921 0.780 0.702
Zr 0.079 0.220 0.298
Zr 0.280 0.421 0.702
Zr 0.720 0.579 0.298
Zr 0.421 0.720 0.141
Zr 0.579 0.280 0.859
Zr 0.250 0.750 0.500
Zr 0.750 0.250 0.500
Al 0.337 0.163 0.500
Al 0.663 0.837 0.500
Al 0.837 0.337 0.173
Al 0.163 0.663 0.827
A... |
Below is a description of a material. | The chemical formula is: AlV2O4.
The XRD pattern shows main peaks at: 18.4°(0.48), 18.9°(0.19), 30.3°(0.11), 30.8°(0.11), 35.9°(1.0), 36.4°(0.51), 37.4°(0.11), 43.7°(1.0), 57.5°(0.23), 57.8°(0.22), 58.3°(0.1), 62.9°(0.56), 64.2°(0.55), 79.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-58493 | 5.80 5.80 5.80
61 61 61
Al 0.624 0.624 0.624
Al 0.376 0.376 0.376
V -0.000 0.500 0.000
V 0.000 0.000 0.000
V 0.500 0.000 -0.000
V 0.000 -0.000 0.500
O 0.253 0.748 0.748
O 0.252 0.252 0.747
O 0.252 0.747 0.252
O 0.249 0.249 0.249
O 0.748 0.748 0.253
O 0.747 0.252 0.252
O 0.748 0.253 0.748
O 0.751 0.751 0.751 |
Below is a description of a material. | The chemical formula is: TiPd2.
The XRD pattern shows main peaks at: 20.5°(0.06), 27.7°(0.17), 30.8°(0.13), 39.1°(1.0), 40.6°(0.79), 41.8°(0.05), 43.0°(0.72), 52.7°(0.19), 60.1°(0.14), 64.6°(0.09), 70.2°(0.31), 75.1°(0.27), 78.2°(0.23), 84.0°(0.1), 88.0°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-78482 | 3.08 3.48 4.91
110 108 90
Ti 0.000 0.000 0.000
Pd 0.342 0.342 0.684
Pd 0.658 0.658 0.316 |
Below is a description of a material. | The chemical formula is: Ni3Sb.
The XRD pattern shows main peaks at: 23.8°(0.1), 34.0°(0.08), 41.9°(1.0), 48.8°(0.49), 71.5°(0.29), 86.5°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126335 | 3.73 3.73 3.73
90 90 90
Ni 0.000 0.500 0.500
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.000
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: VPPb3O8.
The XRD pattern shows main peaks at: 18.8°(0.27), 25.3°(0.27), 28.6°(1.0), 31.9°(0.85), 39.9°(0.09), 41.1°(0.15), 43.3°(0.35), 48.5°(0.24), 51.9°(0.19), 54.8°(0.33), 56.8°(0.17), 59.2°(0.11), 66.6°(0.14), 68.8°(0.17).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-113051 | 7.52 7.52 7.52
43 43 43
V 0.406 0.406 0.406
P 0.597 0.597 0.597
Pb 0.789 0.789 0.789
Pb 0.204 0.204 0.204
Pb 0.995 0.995 0.995
O 0.673 0.673 0.673
O 0.322 0.322 0.322
O 0.722 0.268 0.722
O 0.722 0.722 0.268
O 0.268 0.722 0.722
O 0.267 0.769 0.267
O 0.267 0.267 0.769
O 0.769 0.267 0.267 |
Below is a description of a material. | The chemical formula is: SrNi2P2H4O10.
The XRD pattern shows main peaks at: 13.1°(0.22), 19.8°(0.61), 20.3°(0.57), 26.4°(0.36), 28.2°(0.67), 29.8°(0.98), 32.5°(1.0), 33.5°(0.53), 36.1°(0.55), 36.8°(0.22), 40.2°(0.71), 44.3°(0.28), 50.5°(0.35), 51.0°(0.21), 51.4°(0.22), 54.4°(0.22), 55.8°(0.4), 60.7°(0.2), 61.6°(0.25), ... | JVASP-40994 | 5.40 5.40 7.42
109 70 112
Sr 0.000 0.000 0.000
Ni 0.500 -0.000 0.500
Ni 1.000 0.500 0.500
P 0.586 0.414 0.223
P 0.414 0.586 0.777
H 0.255 0.745 0.207
H 0.074 0.926 0.366
H 0.926 0.074 0.634
H 0.745 0.255 0.793
O 0.299 0.701 0.662
O 0.815 0.185 0.639
O 0.185 0.815 0.361
O 0.701 0.299 0.338
O 0.704 0.296 0.003
O 0.266 0.... |
Below is a description of a material. | The chemical formula is: La2LuSc.
The XRD pattern shows main peaks at: 17.0°(0.14), 25.9°(0.11), 31.1°(1.0), 34.4°(0.37), 39.2°(0.13), 43.6°(0.06), 49.5°(0.14), 53.2°(0.23), 59.6°(0.3), 64.9°(0.12), 66.1°(0.12), 81.1°(0.07), 82.9°(0.06), 85.8°(0.06), 86.9°(0.12).
Generate atomic structure description with lattice lengt... | JVASP-187236 | 4.59 5.21 5.21
90 90 90
Sc 0.500 0.000 0.000
Lu 0.500 0.500 0.500
La -0.000 -0.000 0.500
La 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: GaH2.
The XRD pattern shows main peaks at: 27.2°(1.0), 30.4°(0.5), 35.6°(0.31), 41.3°(0.71), 41.9°(0.2), 47.5°(0.21), 52.7°(0.2), 55.9°(0.09), 56.3°(0.09), 58.8°(0.08), 63.3°(0.05), 65.3°(0.1), 67.8°(0.15), 70.3°(0.13), 76.2°(0.08), 78.9°(0.06).
Generate atomic structure description with lattic... | JVASP-136654 | 4.31 3.33 2.94
90 89 130
Ga 0.011 0.006 0.044
H 0.511 0.506 0.263
H 0.010 0.505 0.835 |
Below is a description of a material. | The chemical formula is: PF3.
The XRD pattern shows main peaks at: 22.8°(1.0), 40.0°(0.08), 46.5°(0.35), 52.4°(0.31), 67.9°(0.18), 72.7°(0.13), 86.3°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179737 | 3.90 3.90 3.90
90 90 90
P 0.000 0.000 0.000
F 0.000 0.000 0.500
F 0.000 0.500 0.000
F 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sr2FeO4.
The XRD pattern shows main peaks at: 14.2°(0.1), 28.7°(0.07), 31.8°(1.0), 33.1°(0.73), 43.6°(0.16), 44.3°(0.25), 47.5°(0.41), 55.8°(0.15), 58.3°(0.36), 66.4°(0.14), 69.4°(0.11), 79.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17466 | 3.83 3.83 6.79
106 106 89
Sr 0.643 0.643 0.285
Sr 0.357 0.357 0.715
Fe 0.000 0.000 0.000
O 0.844 0.844 0.688
O 0.156 0.156 0.312
O -0.000 0.500 0.000
O 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: SnBO.
The XRD pattern shows main peaks at: 10.4°(0.97), 21.0°(1.0), 23.5°(0.72), 29.8°(0.62), 31.7°(0.42), 36.8°(0.21), 38.3°(0.17), 42.7°(0.17), 44.1°(0.27), 48.1°(0.4), 49.3°(0.21), 53.0°(0.28), 54.2°(0.09), 58.7°(0.18), 62.0°(0.11), 63.1°(0.11), 66.2°(0.19), 71.3°(0.14), 75.3°(0.1), 85.9°(0.... | JVASP-115519 | 4.23 4.23 8.47
90 90 90
Sn 0.000 0.000 0.748
B 0.000 0.000 0.217
O 0.000 0.000 -0.026 |
Below is a description of a material. | The chemical formula is: TaCu3S4.
The XRD pattern shows main peaks at: 16.1°(1.0), 22.9°(0.15), 28.1°(0.11), 32.6°(0.17), 36.5°(0.48), 40.2°(0.07), 46.7°(0.54), 49.7°(0.26), 60.7°(0.13), 68.2°(0.08), 70.6°(0.14), 77.6°(0.06), 79.9°(0.1), 86.7°(0.16).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-3126 | 5.50 5.50 5.50
90 90 90
Ta 0.000 0.000 0.000
Cu 0.000 0.000 0.500
Cu 0.000 0.500 0.000
Cu 0.500 0.000 0.000
S 0.244 0.756 0.756
S 0.756 0.756 0.244
S 0.756 0.244 0.756
S 0.244 0.244 0.244 |
Below is a description of a material. | The chemical formula is: Ti3HgC.
The XRD pattern shows main peaks at: 21.0°(0.49), 29.9°(0.62), 36.9°(1.0), 42.8°(0.52), 48.2°(0.29), 53.1°(0.25), 62.2°(0.36), 66.4°(0.14), 70.5°(0.11), 74.5°(0.34), 78.5°(0.12), 82.4°(0.06), 86.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-189953 | 4.22 4.22 4.22
90 90 90
C 0.000 0.000 0.000
Hg 0.500 0.500 0.500
Ti 0.000 0.500 0.000
Ti 0.000 0.000 0.500
Ti 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Al2TcPd.
The XRD pattern shows main peaks at: 29.4°(0.44), 42.0°(1.0), 52.1°(0.12), 60.9°(0.16), 69.1°(0.14), 76.8°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191306 | 4.30 4.30 4.30
60 60 59
Tc 0.750 0.750 0.750
Pd 0.250 0.250 0.250
Al 0.000 0.000 0.000
Al 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiPb3.
The XRD pattern shows main peaks at: 18.1°(0.11), 20.6°(0.32), 26.2°(0.09), 32.1°(1.0), 33.2°(0.1), 36.7°(0.18), 37.4°(0.36), 53.4°(0.25), 53.9°(0.11), 63.2°(0.16), 64.2°(0.28), 67.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106261 | 5.96 5.96 5.96
132 132 69
Li 0.000 0.000 0.000
Pb 0.750 0.250 0.500
Pb 0.250 0.750 0.500
Pb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Te2O5.
The XRD pattern shows main peaks at: 11.5°(0.16), 16.8°(0.19), 22.0°(0.19), 22.8°(0.31), 23.2°(0.21), 25.2°(0.16), 25.8°(1.0), 29.9°(0.31), 33.9°(0.09), 35.0°(0.09), 35.8°(0.21), 37.6°(0.22), 39.0°(0.11), 39.7°(0.1), 44.9°(0.12), 49.9°(0.13), 53.1°(0.12), 55.5°(0.09), 58.6°(0.14), 61.2°(... | JVASP-10889 | 5.48 4.74 7.97
90 105 90
Te 0.857 0.895 0.617
Te 0.143 0.395 0.383
Te 0.740 0.492 0.985
Te 0.260 0.992 0.015
O 0.134 0.047 0.501
O 0.866 0.547 0.499
O 0.348 0.177 0.233
O 0.652 0.677 0.767
O 0.158 0.784 0.796
O 0.842 0.284 0.204
O 0.038 0.729 0.105
O 0.962 0.229 0.895
O 0.537 0.729 0.100
O 0.463 0.229 0.900 |
Below is a description of a material. | The chemical formula is: Ga2RuPd.
The XRD pattern shows main peaks at: 41.3°(0.5), 41.9°(1.0), 59.9°(0.17), 61.6°(0.07), 75.8°(0.29), 76.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190857 | 3.09 3.09 6.02
90 90 90
Ru 0.500 0.500 0.000
Ga 0.000 0.000 0.764
Ga -0.000 -0.000 0.236
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BeGaRe2.
The XRD pattern shows main peaks at: 14.8°(0.39), 33.5°(0.42), 42.7°(1.0), 45.5°(0.12), 62.1°(0.13), 64.1°(0.12), 72.4°(0.09), 78.3°(0.26), 80.1°(0.05), 87.5°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-67832 | 2.99 2.99 6.01
90 90 90
Be 0.000 0.000 0.484
Ga 0.500 0.500 0.724
Re 0.000 0.000 0.015
Re 0.500 0.500 0.277 |
Below is a description of a material. | The chemical formula is: Ti2RePt.
The XRD pattern shows main peaks at: 28.5°(0.47), 40.7°(1.0), 50.5°(0.13), 59.0°(0.16), 66.8°(0.18), 74.1°(0.33), 88.2°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39805 | 4.43 4.43 4.43
60 60 60
Ti 0.000 0.000 0.000
Ti 0.500 0.500 0.500
Re 0.750 0.750 0.750
Pt 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: SrBeCu2.
The XRD pattern shows main peaks at: 23.1°(0.3), 38.2°(1.0), 45.1°(0.15), 55.1°(0.15), 60.6°(0.06), 69.0°(0.3), 81.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74897 | 4.71 4.71 4.71
120 120 89
Sr 0.250 0.750 0.500
Be 0.750 0.250 0.500
Cu 0.000 0.000 0.000
Cu 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: DySi2Rh2.
The XRD pattern shows main peaks at: 23.6°(0.26), 34.8°(0.25), 36.0°(1.0), 44.5°(0.3), 51.0°(0.1), 57.8°(0.12), 58.6°(0.14), 64.8°(0.25), 76.4°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-15094 | 4.07 4.07 5.76
110 110 90
Dy 0.000 0.000 0.000
Si 0.622 0.622 0.243
Si 0.378 0.378 0.757
Rh 0.250 0.750 0.500
Rh 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: Li3Co4S8.
The XRD pattern shows main peaks at: 14.3°(1.0), 31.0°(0.19), 36.4°(0.5), 46.2°(0.23), 50.2°(0.13), 54.5°(0.2), 56.6°(0.12), 63.6°(0.09), 67.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-46821 | 6.74 7.32 6.74
62 60 62
Li 0.356 0.427 0.359
Li 0.858 0.427 0.359
Li 0.357 0.427 0.860
Co 0.999 0.999 0.003
Co 0.997 0.990 0.509
Co 0.504 0.990 0.509
Co 0.504 0.990 0.001
S 0.268 0.193 0.271
S 0.769 0.188 0.274
S 0.730 0.808 0.234
S 0.228 0.808 0.234
S 0.270 0.188 0.773
S 0.769 0.188 0.773
S 0.228 0.808 0.736
S 0.730 0... |
Below is a description of a material. | The chemical formula is: SbSBr.
The XRD pattern shows main peaks at: 11.6°(0.08), 22.9°(0.19), 23.3°(0.13), 28.0°(0.72), 30.7°(1.0), 36.7°(0.5), 40.0°(0.49), 40.7°(0.15), 46.8°(0.1), 51.3°(0.45), 52.0°(0.24), 57.9°(0.17), 58.4°(0.1), 65.6°(0.12), 67.0°(0.1), 67.6°(0.21), 70.6°(0.15), 75.1°(0.07), 81.0°(0.12), 81.6°(0.0... | JVASP-138334 | 4.50 4.50 7.64
90 90 90
Sb 0.500 0.000 0.806
Sb 0.000 0.500 0.194
S 0.500 0.500 0.000
S 0.000 0.000 0.000
Br 0.000 0.500 0.647
Br 0.500 0.000 0.353 |
Below is a description of a material. | The chemical formula is: NaTaBe2.
The XRD pattern shows main peaks at: 11.3°(1.0), 22.7°(0.2), 32.3°(0.16), 34.3°(0.48), 39.9°(0.27), 46.3°(0.12), 47.9°(0.24), 52.2°(0.1), 57.7°(0.1), 59.0°(0.11), 67.7°(0.06), 68.9°(0.06), 78.1°(0.14), 81.4°(0.06).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-66974 | 2.77 2.77 7.82
90 90 90
Na 0.000 0.000 0.465
Ta 0.500 0.500 0.824
Be 0.000 0.000 0.045
Be 0.500 0.500 0.166 |
Below is a description of a material. | The chemical formula is: H3C.
The XRD pattern shows main peaks at: 19.9°(1.0), 26.5°(0.58), 30.6°(0.5), 36.0°(0.23), 40.5°(0.09), 45.0°(0.05), 55.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-120208 | 3.42 1.65 4.75
108 79 94
H 0.630 0.236 0.355
H 0.715 0.867 -0.074
H 0.889 0.718 0.728
C 0.472 0.039 0.165 |
Below is a description of a material. | The chemical formula is: Hf2MoRh.
The XRD pattern shows main peaks at: 27.3°(0.09), 38.9°(1.0), 56.2°(0.17), 70.5°(0.36), 83.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41329 | 4.63 4.63 4.63
60 60 60
Hf 0.000 0.000 0.000
Hf 0.500 0.500 0.500
Mo 0.250 0.250 0.250
Rh 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: MnGeO3.
The XRD pattern shows main peaks at: 18.5°(0.15), 23.7°(0.38), 32.2°(1.0), 35.3°(0.87), 37.4°(0.11), 40.1°(0.21), 48.5°(0.39), 52.5°(0.56), 61.4°(0.32), 63.3°(0.35), 68.8°(0.1), 69.6°(0.12), 74.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-12650 | 5.62 5.62 5.62
53 53 53
Mn 0.366 0.366 0.366
Mn 0.634 0.634 0.634
Ge 0.156 0.156 0.156
Ge 0.844 0.844 0.844
O 0.044 0.791 0.439
O 0.791 0.439 0.044
O 0.439 0.044 0.791
O 0.956 0.209 0.561
O 0.561 0.956 0.209
O 0.209 0.561 0.956 |
Below is a description of a material. | The chemical formula is: MgCo2O4.
The XRD pattern shows main peaks at: 18.8°(0.43), 21.7°(0.1), 30.9°(0.25), 36.4°(1.0), 38.1°(0.1), 44.3°(0.32), 58.7°(0.37), 64.5°(0.49).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10648 | 5.78 5.78 5.78
60 59 59
Mg 0.985 0.005 0.005
Mg 0.124 0.625 0.625
Co 0.260 0.247 0.247
Co 0.625 0.123 0.626
Co 0.625 0.626 0.123
Co 0.625 0.626 0.626
O 0.404 0.376 0.376
O 0.404 0.376 0.844
O 0.404 0.844 0.376
O 0.841 0.386 0.386
O 0.414 0.862 0.862
O 0.846 0.414 0.870
O 0.846 0.870 0.414
O 0.846 0.870 0.870 |
Below is a description of a material. | The chemical formula is: YbCd2.
The XRD pattern shows main peaks at: 29.9°(0.4), 33.2°(0.73), 34.7°(0.12), 35.5°(1.0), 36.0°(0.7), 37.9°(0.13), 39.7°(0.08), 41.9°(0.06), 51.3°(0.05), 53.1°(0.08), 55.2°(0.28), 56.8°(0.26), 60.5°(0.3), 62.2°(0.25), 69.0°(0.05), 72.3°(0.14), 74.0°(0.05), 75.2°(0.11), 87.9°(0.1), 89.2°(0.1... | JVASP-141899 | 5.97 5.97 9.48
90 90 120
Yb 0.333 0.667 0.441
Yb 0.667 0.333 0.559
Yb 0.667 0.333 0.941
Yb 0.333 0.667 0.059
Cd 0.000 0.000 0.500
Cd 0.000 0.000 0.000
Cd 0.829 0.171 0.250
Cd 0.829 0.658 0.250
Cd 0.342 0.171 0.250
Cd 0.171 0.829 0.750
Cd 0.171 0.342 0.750
Cd 0.658 0.829 0.750 |
Below is a description of a material. | The chemical formula is: BaEr2CoO5.
The XRD pattern shows main peaks at: 15.4°(0.05), 25.4°(0.1), 28.0°(0.38), 28.8°(0.08), 31.1°(0.41), 32.8°(1.0), 40.6°(0.14), 42.4°(0.1), 44.6°(0.16), 46.6°(0.27), 49.5°(0.15), 53.5°(0.06), 56.5°(0.23), 57.1°(0.18), 57.8°(0.09), 58.5°(0.06), 59.7°(0.1), 64.9°(0.06), 85.8°(0.05).
Gene... | JVASP-7850 | 3.68 5.74 6.68
115 105 90
Ba 0.000 1.000 1.000
Er 0.797 0.297 0.593
Er 0.203 0.703 0.407
Co 0.500 0.500 -0.000
O 0.348 0.589 0.697
O 0.652 0.411 0.303
O 0.652 0.892 0.303
O 0.348 0.108 0.697
O -0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Tb3La.
The XRD pattern shows main peaks at: 30.6°(1.0), 35.5°(0.36), 51.1°(0.3), 60.7°(0.28), 63.7°(0.11), 83.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-99538 | 6.18 6.18 6.18
131 131 70
Tb 0.750 0.250 0.500
Tb 0.250 0.750 0.500
Tb 0.500 0.500 0.000
La 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Mg2N.
The XRD pattern shows main peaks at: 15.5°(0.46), 25.6°(1.0), 28.9°(0.25), 30.1°(0.16), 31.3°(0.19), 39.0°(0.24), 40.9°(0.19), 43.1°(0.46), 50.8°(0.5), 52.7°(0.13), 56.8°(0.05), 59.8°(0.08), 61.2°(0.07), 62.6°(0.06), 63.3°(0.07), 66.2°(0.12), 70.4°(0.17), 71.4°(0.07), 75.0°(0.06), 83.8°(0... | JVASP-118920 | 3.09 3.47 5.72
90 90 90
Mg -0.033 0.000 0.773
Mg -0.033 0.000 0.227
N 0.467 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Tl2InGaF6.
The XRD pattern shows main peaks at: 19.8°(0.11), 28.1°(1.0), 34.7°(0.13), 40.2°(0.32), 45.2°(0.07), 49.8°(0.45), 58.2°(0.21), 65.9°(0.22), 73.1°(0.07), 80.1°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-38092 | 6.34 6.34 6.34
60 60 60
Tl 0.250 0.250 0.250
Tl 0.750 0.750 0.750
In 0.000 0.000 0.000
Ga 0.500 0.500 0.500
F 0.285 0.715 0.715
F 0.285 0.715 0.285
F 0.715 0.285 0.715
F 0.715 0.715 0.285
F 0.285 0.285 0.715
F 0.715 0.285 0.285 |
Below is a description of a material. | The chemical formula is: Ba2SrNi.
The XRD pattern shows main peaks at: 21.1°(0.08), 30.1°(1.0), 43.0°(0.18), 53.4°(0.41), 62.5°(0.13), 70.9°(0.17), 86.7°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69307 | 5.94 5.94 5.94
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Sr 0.500 0.500 0.500
Ni 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YbLiAlF6.
The XRD pattern shows main peaks at: 18.7°(0.16), 20.6°(0.58), 27.9°(1.0), 36.0°(0.16), 40.9°(0.33), 41.8°(0.15), 43.5°(0.23), 46.2°(0.25), 53.3°(0.31), 56.3°(0.1), 57.7°(0.07), 59.9°(0.25), 64.7°(0.11), 69.9°(0.09), 83.1°(0.09), 88.6°(0.07).
Generate atomic structure description with... | JVASP-21570 | 4.99 4.99 9.49
90 90 120
Yb 0.000 0.000 0.500
Yb 0.000 0.000 0.000
Li 0.333 0.667 0.250
Li 0.667 0.333 0.750
Al 0.667 0.333 0.250
Al 0.333 0.667 0.750
F 0.654 0.628 0.359
F 0.372 0.026 0.359
F 0.026 0.372 0.859
F 0.346 0.974 0.859
F 0.628 0.654 0.859
F 0.628 0.974 0.641
F 0.346 0.372 0.641
F 0.974 0.346 0.359
F 0.654 0... |
Below is a description of a material. | The chemical formula is: NaAc.
The XRD pattern shows main peaks at: 13.6°(0.73), 26.8°(0.55), 27.4°(0.22), 30.2°(1.0), 38.7°(0.4), 47.3°(0.15), 49.5°(0.19), 50.2°(0.22), 55.6°(0.2), 57.2°(0.17), 62.8°(0.1), 63.7°(0.1), 64.9°(0.08), 71.5°(0.09), 76.8°(0.07), 77.3°(0.14), 82.2°(0.1).
Generate atomic structure description... | JVASP-38470 | 3.84 3.84 6.50
90 90 120
Na 0.667 0.333 0.500
Ac 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: ErGa2Pd.
The XRD pattern shows main peaks at: 22.0°(0.14), 27.2°(0.2), 35.2°(0.99), 35.7°(0.19), 36.3°(1.0), 38.3°(0.35), 40.9°(0.48), 43.7°(0.33), 45.2°(0.18), 54.2°(0.1), 55.7°(0.12), 56.1°(0.1), 57.3°(0.22), 62.6°(0.13), 68.7°(0.1), 70.3°(0.1), 70.8°(0.19), 71.5°(0.2), 81.8°(0.16), 85.1°(0.0... | JVASP-91570 | 4.41 5.49 6.56
90 90 113
Er 0.410 0.820 0.250
Er 0.590 0.180 0.750
Ga 0.126 0.252 0.448
Ga 0.874 0.748 0.552
Ga 0.126 0.252 0.052
Ga 0.874 0.748 0.948
Pd 0.699 0.398 0.250
Pd 0.301 0.602 0.750 |
Below is a description of a material. | The chemical formula is: CaTiO3.
The XRD pattern shows main peaks at: 17.7°(0.07), 22.6°(0.32), 30.7°(1.0), 33.7°(0.64), 38.3°(0.26), 46.2°(0.42), 50.0°(0.46), 52.5°(0.11), 58.4°(0.34), 60.2°(0.28), 65.2°(0.1), 70.8°(0.09), 79.1°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and... | JVASP-49897 | 5.32 5.32 5.88
63 63 59
Ca 0.637 0.637 0.089
Ca 0.363 0.363 0.911
Ti 0.851 0.851 0.447
Ti 0.149 0.149 0.553
O 0.565 0.973 0.275
O 0.187 0.565 0.275
O 0.027 0.813 0.726
O 0.973 0.187 0.274
O 0.813 0.435 0.725
O 0.435 0.027 0.725 |
Below is a description of a material. | The chemical formula is: Hf2FeTc.
The XRD pattern shows main peaks at: 27.9°(0.17), 39.9°(1.0), 49.4°(0.05), 57.7°(0.17), 65.3°(0.07), 72.4°(0.3), 86.1°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37785 | 4.52 4.52 4.52
60 60 60
Hf 0.000 0.000 0.000
Hf 0.500 0.500 0.500
Fe 0.250 0.250 0.250
Tc 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ti5S8.
The XRD pattern shows main peaks at: 15.4°(0.46), 16.8°(0.12), 30.1°(0.13), 34.0°(1.0), 43.6°(0.58), 53.4°(0.48), 56.9°(0.15), 57.4°(0.07), 64.7°(0.2), 71.2°(0.12), 88.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-141338 | 6.71 6.71 8.23
53 53 61
Ti 0.736 0.264 0.500
Ti 0.264 0.736 0.500
Ti 0.744 0.744 0.011
Ti 0.256 0.256 0.989
Ti 0.000 0.000 0.000
S 0.457 0.457 0.333
S 0.543 0.543 0.667
S 0.542 0.044 0.170
S 0.458 0.956 0.830
S 0.956 0.458 0.830
S 0.044 0.542 0.170
S 0.962 0.962 0.332
S 0.038 0.038 0.668 |
Below is a description of a material. | The chemical formula is: ZrNi2As2.
The XRD pattern shows main peaks at: 34.1°(1.0), 37.9°(1.0), 47.4°(0.65), 49.2°(0.63), 61.2°(0.34), 66.7°(0.11), 70.7°(0.27), 72.1°(0.17), 82.3°(0.09), 84.5°(0.17), 87.2°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-179034 | 6.19 6.19 6.19
145 145 50
Zr 0.000 0.000 0.000
Ni 0.250 0.750 0.500
Ni 0.750 0.250 0.500
As 0.621 0.621 0.000
As 0.379 0.379 -0.000 |
Below is a description of a material. | The chemical formula is: HoIn3.
The XRD pattern shows main peaks at: 33.6°(1.0), 39.0°(0.48), 56.3°(0.34), 67.1°(0.36), 70.6°(0.11), 83.7°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18092 | 4.62 4.62 4.62
90 90 90
Ho 0.000 0.000 0.000
In 0.500 0.000 0.500
In 0.000 0.500 0.500
In 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: MoC.
The XRD pattern shows main peaks at: 33.0°(1.0), 47.3°(0.99), 58.9°(0.25), 69.2°(0.16), 78.8°(0.34), 88.1°(0.36).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127473 | 2.72 2.72 2.72
90 90 90
Mo 0.500 0.500 0.500
C 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TiIrO.
The XRD pattern shows main peaks at: 19.9°(0.24), 32.1°(0.41), 38.0°(1.0), 40.4°(0.17), 52.5°(0.21), 57.2°(0.2), 61.2°(0.09), 67.1°(0.05), 70.8°(0.15), 71.8°(0.15), 72.3°(0.19), 81.3°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-186661 | 3.22 3.22 4.47
90 90 120
Ti 0.667 0.333 0.500
Ir -0.000 0.000 -0.000
O 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Li8FeO5F.
The XRD pattern shows main peaks at: 17.4°(0.68), 19.1°(0.64), 20.0°(0.7), 21.4°(0.63), 22.3°(0.56), 23.0°(0.43), 29.2°(0.24), 31.0°(0.18), 33.7°(0.2), 35.5°(1.0), 38.1°(0.85), 39.2°(0.52), 46.5°(0.21), 48.2°(0.15), 49.0°(0.14), 49.6°(0.34), 51.0°(0.37), 57.6°(0.27), 58.5°(0.21), 61.3... | JVASP-44329 | 5.31 5.37 5.83
91 114 116
Li 0.248 0.471 0.356
Li 0.124 0.231 0.660
Li 0.402 0.893 0.635
Li 0.732 0.354 0.022
Li 0.298 0.680 0.973
Li 0.577 0.096 0.346
Li 0.903 0.796 0.367
Li 0.758 0.517 0.646
Fe 0.925 0.945 0.964
O 0.507 0.598 0.763
O 0.872 0.105 0.245
O 0.165 0.764 0.236
O 0.823 0.221 0.757
O 0.125 0.896 0.755
F 0.5... |
Below is a description of a material. | The chemical formula is: Sr4SbF.
The XRD pattern shows main peaks at: 15.7°(0.23), 18.1°(0.1), 25.7°(0.2), 30.2°(1.0), 31.6°(0.52), 36.7°(0.09), 40.1°(0.06), 41.2°(0.07), 45.3°(0.08), 48.2°(0.35), 52.8°(0.31), 55.5°(0.05), 62.1°(0.13), 62.9°(0.22), 74.3°(0.23), 78.0°(0.05), 85.9°(0.07).
Generate atomic structure descri... | JVASP-186451 | 6.93 6.93 6.93
60 60 60
Sr 0.374 0.374 0.879
Sr 0.374 0.879 0.374
Sr 0.879 0.374 0.374
Sr 0.374 0.374 0.374
Sb 0.000 0.000 0.000
F 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: V5Tc3.
The XRD pattern shows main peaks at: 22.1°(0.05), 30.7°(0.08), 42.5°(1.0), 61.8°(0.1), 77.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194223 | 3.00 3.00 12.06
90 90 90
V -0.000 -0.000 0.250
V 0.500 0.500 0.624
V 0.500 0.500 0.376
V 0.000 0.000 0.750
V 0.000 0.000 -0.000
Tc 0.500 0.500 0.126
Tc 0.500 0.500 0.874
Tc 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Li3NbP2.
The XRD pattern shows main peaks at: 14.5°(0.77), 26.3°(0.27), 30.2°(1.0), 39.7°(0.75), 46.5°(0.41), 48.9°(0.18), 52.4°(0.21), 56.4°(0.15), 62.8°(0.2), 72.6°(0.08), 76.0°(0.13), 79.7°(0.12), 81.6°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-135310 | 3.91 3.91 6.11
90 90 120
Li 0.000 0.000 0.500
Li 0.667 0.333 0.328
Li 0.333 0.667 0.672
Nb 0.000 0.000 0.000
P 0.333 0.667 0.238
P 0.667 0.333 0.762 |
Below is a description of a material. | The chemical formula is: Ca2B4Rh5.
The XRD pattern shows main peaks at: 15.7°(0.08), 18.1°(0.56), 24.1°(0.07), 30.2°(0.28), 31.8°(0.36), 32.6°(0.08), 36.7°(0.78), 37.5°(1.0), 40.1°(0.19), 46.1°(0.26), 49.3°(0.28), 49.9°(0.54), 60.3°(0.18), 66.6°(0.2), 68.2°(0.09), 78.3°(0.1), 78.8°(0.2), 80.1°(0.09).
Generate atomic st... | JVASP-58414 | 5.50 5.62 6.27
77 63 60
Ca 0.142 -0.000 0.716
Ca 0.858 0.000 0.284
B 0.209 0.320 0.262
B 0.791 0.680 0.738
B 0.471 0.320 0.738
B 0.529 0.680 0.262
Rh 0.500 0.000 0.000
Rh 0.500 0.500 0.000
Rh -0.000 0.500 -0.000
Rh 0.250 0.500 0.500
Rh 0.750 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Er2Ga8Co.
The XRD pattern shows main peaks at: 16.0°(0.06), 21.1°(0.24), 31.1°(0.09), 32.3°(0.13), 34.2°(0.55), 38.9°(1.0), 40.8°(0.24), 42.9°(0.61), 44.7°(0.09), 48.3°(0.06), 54.7°(0.06), 60.7°(0.3), 62.3°(0.2), 73.0°(0.12), 75.9°(0.29), 77.2°(0.15).
Generate atomic structure description with ... | JVASP-151095 | 4.21 4.21 11.06
90 90 90
Er 0.000 0.000 0.306
Er 0.000 0.000 0.694
Ga 0.000 0.500 0.500
Ga 0.500 0.000 0.500
Ga 0.500 0.500 0.305
Ga 0.500 0.500 0.695
Ga 0.000 0.500 0.117
Ga 0.500 0.000 0.117
Ga 0.000 0.500 0.883
Ga 0.500 0.000 0.883
Co 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeCoMo.
The XRD pattern shows main peaks at: 15.0°(0.65), 30.2°(0.22), 39.3°(0.23), 42.2°(1.0), 45.9°(0.19), 50.3°(0.57), 62.0°(0.13), 71.2°(0.17), 73.2°(0.06), 76.6°(0.17), 79.2°(0.08), 86.4°(0.13), 89.0°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-69867 | 2.65 2.65 5.93
90 90 120
Be 0.000 0.000 0.976
Co 0.333 0.667 0.687
Mo 0.667 0.333 0.336 |
Below is a description of a material. | The chemical formula is: Ti2MoPt.
The XRD pattern shows main peaks at: 24.6°(0.15), 28.4°(0.35), 40.6°(1.0), 48.1°(0.08), 50.3°(0.1), 58.8°(0.17), 66.6°(0.14), 74.0°(0.34), 88.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80017 | 4.44 4.44 4.44
60 60 60
Ti 0.000 0.000 0.000
Ti 0.500 0.500 0.500
Mo 0.250 0.250 0.250
Pt 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: LiLaTiO4.
The XRD pattern shows main peaks at: 7.2°(1.0), 14.4°(0.05), 27.8°(0.83), 32.3°(0.25), 33.7°(0.32), 34.5°(0.16), 36.6°(0.12), 44.0°(0.1), 45.1°(0.21), 48.4°(0.22), 50.6°(0.15), 56.8°(0.2), 59.4°(0.1), 62.2°(0.1), 67.5°(0.05), 70.9°(0.06), 88.1°(0.06).
Generate atomic structure descrip... | JVASP-86935 | 3.76 3.76 12.29
90 90 90
Li 0.250 0.750 0.500
Li 0.750 0.250 0.500
La 0.750 0.750 0.118
La 0.250 0.250 0.882
Ti 0.750 0.750 0.704
Ti 0.250 0.250 0.296
O 0.750 0.750 0.924
O 0.250 0.250 0.076
O 0.750 0.750 0.558
O 0.250 0.250 0.442
O 0.750 0.250 0.744
O 0.250 0.750 0.744
O 0.250 0.750 0.256
O 0.750 0.250 0.256 |
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