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: Nd5Ir2.
The XRD pattern shows main peaks at: 19.2°(0.63), 27.9°(0.21), 29.4°(0.41), 30.3°(0.58), 30.8°(1.0), 31.4°(0.2), 31.9°(0.53), 32.6°(0.2), 34.0°(0.91), 34.6°(0.5), 35.9°(0.31), 36.5°(0.24), 37.2°(0.2), 38.6°(0.37), 39.2°(0.49), 40.6°(0.2), 45.1°(0.28), 46.3°(0.2), 51.7°(0.24), 56.6°(0.17... | JVASP-146751 | 8.94 8.94 7.33
83 83 43
Nd 0.017 0.798 0.921
Nd 0.202 0.983 0.579
Nd 0.983 0.202 0.079
Nd 0.798 0.017 0.421
Nd 0.354 0.209 0.813
Nd 0.791 0.646 0.687
Nd 0.646 0.791 0.187
Nd 0.209 0.354 0.313
Nd 0.571 0.429 0.750
Nd 0.429 0.571 0.250
Ir 0.182 0.595 0.576
Ir 0.405 0.818 0.924
Ir 0.818 0.405 0.424
Ir 0.595 0.182 0.076 |
Below is a description of a material. | The chemical formula is: LaNiO3.
The XRD pattern shows main peaks at: 23.2°(0.2), 32.7°(0.97), 33.3°(1.0), 40.4°(0.2), 41.5°(0.07), 47.3°(0.56), 58.3°(0.22), 58.7°(0.4), 59.9°(0.18), 68.5°(0.16), 69.9°(0.17), 78.3°(0.16), 79.3°(0.16), 87.4°(0.08).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-151343 | 5.38 5.38 5.38
61 61 61
La 0.250 0.250 0.250
La 0.750 0.750 0.750
Ni 0.000 0.000 0.000
Ni 0.500 0.500 0.500
O 0.803 0.697 0.250
O 0.250 0.803 0.697
O 0.697 0.250 0.803
O 0.197 0.303 0.750
O 0.750 0.197 0.303
O 0.303 0.750 0.197 |
Below is a description of a material. | The chemical formula is: BaAgSe.
The XRD pattern shows main peaks at: 20.2°(1.0), 29.0°(0.1), 30.2°(0.59), 31.1°(0.12), 36.6°(0.72), 37.4°(0.14), 38.6°(0.18), 41.1°(0.16), 44.0°(0.26), 50.4°(0.06), 51.8°(0.24), 54.8°(0.08), 57.7°(0.11), 59.7°(0.07), 63.6°(0.14), 64.7°(0.07), 68.6°(0.11), 72.0°(0.09), 75.0°(0.08), 79.6°... | JVASP-114113 | 6.21 4.66 4.39
90 90 67
Ba -0.182 0.103 0.000
Ag 0.409 -0.192 0.000
Se 0.202 0.411 0.000 |
Below is a description of a material. | The chemical formula is: BeH.
The XRD pattern shows main peaks at: 24.2°(1.0), 42.1°(0.23), 49.1°(0.18), 51.2°(0.15), 62.7°(0.11), 63.4°(0.11), 67.0°(0.06), 83.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134071 | 4.26 4.26 2.04
90 89 119
Be 0.940 0.050 0.073
Be 0.440 0.550 0.573
H 0.803 0.189 0.578
H 0.303 0.689 0.078 |
Below is a description of a material. | The chemical formula is: Be4AlCu.
The XRD pattern shows main peaks at: 25.2°(1.0), 29.2°(0.25), 41.8°(0.99), 49.5°(0.85), 60.6°(0.09), 76.3°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189783 | 4.32 4.32 4.32
60 60 60
Al 0.000 -0.000 -0.000
Be 0.125 0.625 0.625
Be 0.625 0.625 0.625
Be 0.625 0.125 0.625
Be 0.625 0.625 0.125
Cu 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: MgTeCl6O6.
The XRD pattern shows main peaks at: 13.1°(0.23), 14.1°(0.22), 15.4°(0.64), 17.1°(1.0), 21.1°(0.11), 21.6°(0.2), 23.0°(0.13), 26.4°(0.32), 27.2°(0.12), 29.0°(0.16), 30.1°(0.19), 31.5°(0.39), 31.8°(0.47), 33.6°(0.13), 34.4°(0.3), 37.4°(0.18), 42.4°(0.22), 43.3°(0.17), 43.7°(0.16), 58.... | JVASP-147174 | 6.00 6.44 7.20
78 73 90
Mg -0.000 0.500 0.000
Te 0.000 0.000 0.000
Cl 0.753 0.394 0.460
Cl 0.766 0.881 0.476
Cl 0.262 0.744 0.117
Cl 0.247 0.606 0.540
Cl 0.234 0.119 0.524
Cl 0.738 0.256 0.883
O 0.103 0.210 0.109
O 0.722 0.890 0.255
O 0.284 0.526 0.754
O 0.897 0.790 0.891
O 0.278 0.110 0.745
O 0.716 0.474 0.246 |
Below is a description of a material. | The chemical formula is: TbSnPd.
The XRD pattern shows main peaks at: 32.1°(0.32), 33.4°(1.0), 36.1°(0.06), 38.8°(0.32), 39.1°(0.67), 50.5°(0.05), 52.1°(0.18), 56.2°(0.13), 59.4°(0.06), 63.9°(0.18), 65.7°(0.08), 66.7°(0.1), 70.4°(0.09), 72.5°(0.11), 73.2°(0.06).
Generate atomic structure description with lattice length... | JVASP-151883 | 4.65 7.23 7.96
90 90 90
Tb 0.250 0.991 0.794
Tb 0.750 0.509 0.294
Tb 0.750 0.009 0.206
Tb 0.250 0.491 0.706
Sn 0.250 0.805 0.412
Sn 0.750 0.695 0.912
Sn 0.750 0.195 0.588
Sn 0.250 0.305 0.088
Pd 0.250 0.206 0.417
Pd 0.750 0.294 0.917
Pd 0.750 0.794 0.583
Pd 0.250 0.706 0.083 |
Below is a description of a material. | The chemical formula is: NaHf.
The XRD pattern shows main peaks at: 14.4°(1.0), 29.1°(0.35), 34.3°(0.44), 37.4°(0.96), 44.3°(0.06), 45.6°(0.43), 57.2°(0.28), 61.5°(0.13), 63.5°(0.13), 69.4°(0.16), 71.3°(0.11), 74.2°(0.12), 78.8°(0.07), 79.8°(0.09), 87.9°(0.08), 88.9°(0.09).
Generate atomic structure description with la... | JVASP-132286 | 3.02 3.02 6.14
90 90 120
Na 0.333 0.667 0.250
Hf 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: ThAu2.
The XRD pattern shows main peaks at: 25.9°(0.05), 33.8°(1.0), 37.4°(0.8), 46.0°(0.06), 51.3°(0.31), 53.3°(0.1), 65.1°(0.29), 66.9°(0.3), 67.4°(0.15), 79.7°(0.1), 88.6°(0.07), 89.4°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19596 | 4.81 4.81 3.44
90 90 120
Th 0.000 0.000 0.000
Au 0.667 0.333 0.500
Au 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Sr2BN2.
The XRD pattern shows main peaks at: 15.8°(0.08), 24.5°(0.52), 32.0°(0.36), 33.0°(0.95), 33.5°(1.0), 46.7°(0.45), 47.4°(0.34), 48.8°(0.06), 54.1°(0.16), 58.4°(0.22), 59.3°(0.39), 60.2°(0.13), 63.0°(0.16), 69.3°(0.1), 70.4°(0.08), 78.4°(0.1), 79.0°(0.15), 82.5°(0.16), 87.7°(0.14).
Genera... | JVASP-135769 | 6.22 6.22 6.22
144 144 51
Sr 0.646 0.646 0.000
Sr 0.354 0.354 0.000
B 0.000 0.000 0.000
N 0.876 0.876 0.000
N 0.124 0.124 0.000 |
Below is a description of a material. | The chemical formula is: Er3In.
The XRD pattern shows main peaks at: 30.7°(0.53), 33.2°(0.32), 34.0°(1.0), 38.9°(0.26), 52.1°(0.12), 52.5°(0.25), 62.0°(0.07), 63.5°(0.29), 64.0°(0.16), 67.2°(0.05), 85.5°(0.06), 87.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-123211 | 3.49 3.49 10.79
90 90 120
Er 0.333 0.667 0.238
Er 0.000 0.000 0.500
Er 0.667 0.333 0.762
In 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbUTe6.
The XRD pattern shows main peaks at: 7.0°(0.27), 14.0°(0.2), 21.4°(0.12), 22.8°(0.1), 28.3°(0.47), 28.9°(0.36), 30.6°(1.0), 32.1°(0.2), 33.9°(0.77), 35.0°(0.25), 38.2°(0.41), 41.1°(0.66), 50.6°(0.37), 53.0°(0.1), 55.0°(0.13), 57.2°(0.13), 59.4°(0.23), 67.1°(0.16), 68.4°(0.19), 70.2°(0.1... | JVASP-109141 | 12.81 12.81 4.40
90 90 160
Tb 0.168 0.832 0.500
U 0.834 0.166 0.000
Te 0.425 0.575 0.000
Te 0.573 0.427 0.500
Te 0.707 0.293 0.000
Te 0.296 0.704 0.500
Te 0.072 0.928 0.000
Te 0.925 0.075 0.500 |
Below is a description of a material. | The chemical formula is: HfSe2.
The XRD pattern shows main peaks at: 11.8°(1.0), 26.9°(0.31), 28.0°(0.51), 30.5°(0.22), 34.1°(0.58), 35.9°(0.08), 39.2°(0.22), 43.7°(0.08), 44.7°(0.53), 46.1°(0.07), 48.5°(0.11), 49.4°(0.1), 52.7°(0.09), 57.0°(0.13), 57.7°(0.14), 59.2°(0.08), 68.9°(0.16), 71.7°(0.07), 78.7°(0.13), 89.2°(... | JVASP-121111 | 3.69 3.19 7.50
90 90 90
Hf 0.467 0.000 0.000
Se -0.033 0.000 0.749
Se -0.033 0.000 0.251 |
Below is a description of a material. | The chemical formula is: Ca2HgBi.
The XRD pattern shows main peaks at: 23.0°(0.49), 32.7°(1.0), 40.4°(0.15), 46.9°(0.17), 52.9°(0.24), 58.4°(0.39), 68.6°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-103589 | 5.47 5.47 5.47
60 60 60
Ca 0.750 0.750 0.750
Ca 0.250 0.250 0.250
Hg 0.000 0.000 0.000
Bi 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Y3Co6Sn5.
The XRD pattern shows main peaks at: 18.4°(0.07), 30.1°(0.8), 34.8°(0.58), 35.5°(1.0), 37.9°(0.56), 40.2°(0.11), 41.9°(0.64), 42.3°(0.33), 43.6°(0.24), 44.2°(0.22), 46.0°(0.19), 46.5°(0.51), 56.1°(0.3), 57.3°(0.09), 62.6°(0.15), 66.1°(0.31), 72.6°(0.12), 73.5°(0.1).
Generate atomic st... | JVASP-141961 | 8.10 8.10 8.10
149 106 81
Y 0.000 0.000 0.000
Y 0.317 0.317 0.000
Y 0.683 0.683 -0.000
Co 0.694 0.500 0.194
Co 0.306 0.500 0.806
Co 0.381 0.107 0.273
Co 0.619 0.893 0.727
Co 0.834 0.107 0.727
Co 0.166 0.893 0.273
Sn 0.666 0.324 0.342
Sn 0.334 0.676 0.658
Sn 0.983 0.324 0.658
Sn 0.017 0.676 0.342
Sn 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: PmC3.
The XRD pattern shows main peaks at: 16.9°(0.88), 28.7°(0.8), 33.5°(1.0), 34.2°(0.26), 45.2°(0.49), 50.9°(0.24), 54.0°(0.25), 59.5°(0.11), 60.8°(0.17), 62.4°(0.17), 62.8°(0.24), 70.5°(0.12), 76.0°(0.1), 79.2°(0.09), 82.1°(0.09), 83.2°(0.05), 84.6°(0.15).
Generate atomic structure descript... | JVASP-125471 | 3.59 3.59 5.25
90 90 119
Pm 0.000 0.000 0.000
C 0.000 0.000 0.500
C 0.667 0.333 0.000
C 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Rh3Pt.
The XRD pattern shows main peaks at: 23.0°(0.09), 32.7°(0.07), 40.4°(1.0), 47.0°(0.48), 68.6°(0.31), 82.7°(0.33), 87.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191374 | 3.87 3.87 3.87
90 90 90
Rh 0.000 0.500 0.500
Rh 0.500 0.000 0.500
Rh 0.500 0.500 0.000
Pt 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Al2OsRu.
The XRD pattern shows main peaks at: 16.7°(1.0), 21.0°(0.14), 33.7°(0.36), 39.0°(0.73), 42.7°(0.56), 52.5°(0.63), 70.7°(0.12), 80.7°(0.17), 83.8°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-77290 | 10.63 5.94 5.94
45 26 26
Al 0.750 0.000 1.000
Al 0.250 1.000 0.000
Os 0.500 -0.000 -0.000
Ru 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Rb3TaO8.
The XRD pattern shows main peaks at: 16.7°(0.38), 17.7°(0.14), 25.1°(0.55), 28.5°(1.0), 35.7°(0.38), 45.4°(0.1), 46.4°(0.63), 51.4°(0.09), 52.6°(0.17), 58.1°(0.14), 59.1°(0.18), 59.9°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-9717 | 6.42 6.42 6.42
103 112 112
Rb -0.000 0.500 0.500
Rb 0.500 0.250 0.750
Rb 0.500 0.750 0.250
Ta 0.000 0.000 0.000
O 0.587 0.812 0.812
O -0.000 0.188 0.775
O 0.000 0.775 0.188
O 0.413 0.225 0.225
O 0.272 0.322 0.322
O -0.000 0.678 0.949
O -0.000 0.949 0.678
O 0.728 0.051 0.051 |
Below is a description of a material. | The chemical formula is: PdSe2Br6.
The XRD pattern shows main peaks at: 10.4°(0.41), 13.2°(0.23), 14.3°(0.34), 20.5°(0.3), 22.1°(0.42), 25.0°(0.82), 27.9°(0.45), 29.7°(0.19), 30.1°(0.37), 31.0°(1.0), 31.5°(0.37), 34.4°(0.76), 37.2°(0.2), 39.9°(0.16), 43.8°(0.24), 44.9°(0.14), 50.1°(0.27), 51.2°(0.15), 59.7°(0.17), 62.6... | JVASP-4080 | 4.66 7.01 8.96
105 97 95
Pd -0.000 0.500 0.500
Se 0.661 0.261 0.288
Se 0.339 0.739 0.712
Br 0.325 0.639 0.348
Br 0.675 0.361 0.652
Br 0.738 0.307 0.044
Br 0.078 0.020 0.715
Br 0.922 -0.020 0.285
Br 0.262 0.693 0.956 |
Below is a description of a material. | The chemical formula is: InIr3.
The XRD pattern shows main peaks at: 39.1°(1.0), 45.4°(0.52), 66.2°(0.34), 79.6°(0.41), 83.9°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129227 | 3.99 3.99 3.99
90 90 90
In 0.000 0.000 0.000
Ir 0.000 0.500 0.500
Ir 0.500 0.000 0.500
Ir 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Na2H2Pd.
The XRD pattern shows main peaks at: 15.7°(0.71), 26.2°(0.58), 31.8°(0.05), 34.7°(1.0), 35.6°(0.53), 39.2°(0.28), 47.8°(0.26), 48.5°(0.08), 51.3°(0.16), 54.0°(0.11), 61.6°(0.15), 63.4°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types... | JVASP-92356 | 3.56 3.56 6.17
106 106 90
Na 0.640 0.640 0.281
Na 0.360 0.360 0.719
H 0.849 0.849 0.697
H 0.151 0.151 0.303
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: BeFeBi.
The XRD pattern shows main peaks at: 14.9°(0.68), 30.0°(0.19), 32.1°(0.38), 35.6°(1.0), 44.5°(0.45), 45.7°(0.1), 57.0°(0.18), 57.3°(0.17), 59.5°(0.13), 66.0°(0.13), 69.3°(0.14), 71.9°(0.14), 75.3°(0.1), 76.2°(0.14), 89.5°(0.07).
Generate atomic structure description with lattice lengths... | JVASP-71406 | 3.22 3.22 5.95
90 90 120
Be 0.000 0.000 0.934
Fe 0.333 0.667 0.711
Bi 0.667 0.333 0.356 |
Below is a description of a material. | The chemical formula is: CdSnO4.
The XRD pattern shows main peaks at: 23.1°(1.0), 33.5°(0.21), 34.1°(0.18), 35.1°(0.34), 43.7°(0.25), 48.6°(0.18), 50.0°(0.24), 56.2°(0.1), 56.6°(0.18), 61.7°(0.11), 63.6°(0.07), 67.4°(0.12), 74.2°(0.07), 74.7°(0.09).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-134477 | 6.01 6.01 6.01
139 139 58
Cd 0.750 0.250 0.500
Sn 0.000 0.000 0.000
O 0.533 0.033 0.500
O 0.195 0.195 -0.000
O 0.967 0.467 0.500
O 0.805 0.805 -0.000 |
Below is a description of a material. | The chemical formula is: BaSrCl.
The XRD pattern shows main peaks at: 9.1°(0.1), 18.2°(0.31), 21.7°(1.0), 27.4°(0.15), 28.5°(0.43), 30.9°(0.41), 35.3°(0.35), 36.1°(0.22), 41.8°(0.2), 43.2°(0.12), 44.3°(0.16), 48.3°(0.1), 48.9°(0.09), 49.9°(0.23), 52.0°(0.09), 52.9°(0.1), 53.5°(0.13), 57.0°(0.07), 57.9°(0.16), 70.6°(0.0... | JVASP-117569 | 4.09 4.09 9.75
90 90 90
Ba 0.000 0.000 0.442
Sr 0.000 0.000 0.022
Cl 0.000 0.000 0.742 |
Below is a description of a material. | The chemical formula is: NaCuF.
The XRD pattern shows main peaks at: 23.5°(0.84), 32.1°(0.77), 40.2°(0.43), 41.4°(1.0), 48.1°(0.13), 53.3°(0.99), 59.0°(0.13), 67.2°(0.07), 75.4°(0.15), 82.0°(0.23), 84.3°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134659 | 4.37 4.37 2.79
90 90 119
Na 0.667 0.333 0.000
Cu 0.000 0.000 0.000
F 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: Sr2CaIrO6.
The XRD pattern shows main peaks at: 18.6°(0.48), 21.6°(0.12), 30.7°(1.0), 36.2°(0.14), 44.0°(0.4), 48.1°(0.07), 54.2°(0.19), 63.8°(0.1), 72.6°(0.1), 89.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22111 | 5.78 5.88 10.02
90 124 90
Sr 0.241 0.044 0.250
Sr 0.759 0.544 0.250
Sr 0.241 0.456 0.750
Sr 0.759 0.956 0.750
Ca 0.500 0.500 0.500
Ca 0.500 0.000 0.000
Ir -0.000 0.000 0.500
Ir 0.000 0.500 0.000
O 0.232 0.809 0.460
O 0.768 0.309 0.040
O 0.857 0.771 0.044
O 0.143 0.271 0.456
O 0.143 0.229 0.956
O 0.692 0.521 0.770
O 0.3... |
Below is a description of a material. | The chemical formula is: PrP2Pt2.
The XRD pattern shows main peaks at: 9.1°(0.05), 18.3°(0.11), 27.6°(0.22), 29.2°(0.13), 30.6°(1.0), 30.9°(0.82), 34.6°(0.98), 38.6°(0.37), 41.7°(0.92), 46.8°(0.1), 47.8°(0.29), 50.7°(0.17), 52.8°(0.39), 60.5°(0.28).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-108011 | 10.17 10.17 10.17
155 155 35
Pr 0.375 0.375 0.000
Pr 0.625 0.625 -0.000
P 0.070 0.070 -0.000
P 0.930 0.930 0.000
P 0.750 0.250 0.500
P 0.250 0.750 0.500
Pt 0.193 0.193 0.000
Pt 0.807 0.807 -0.000
Pt 0.500 -0.000 0.500
Pt -0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: AlCuO3.
The XRD pattern shows main peaks at: 24.1°(0.65), 34.3°(1.0), 49.3°(0.52), 55.6°(0.21), 61.4°(0.37), 72.2°(0.27), 77.4°(0.07), 82.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17345 | 3.70 3.70 3.70
90 90 90
Al 0.000 0.000 0.000
Cu 0.500 0.500 0.500
O 0.500 0.000 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: PbCN2.
The XRD pattern shows main peaks at: 18.2°(0.78), 23.4°(0.88), 29.8°(1.0), 33.4°(0.59), 36.8°(0.18), 38.3°(0.49), 44.1°(0.45), 47.9°(0.21), 50.5°(0.28), 51.7°(0.21), 54.0°(0.21), 57.5°(0.31), 62.0°(0.24), 67.2°(0.31), 73.1°(0.09), 77.2°(0.07), 78.0°(0.07), 79.9°(0.09), 82.0°(0.18), 82.8°... | JVASP-117906 | 3.80 3.80 4.88
90 90 90
Pb 0.500 0.500 0.514
C 0.000 0.000 0.122
N 0.000 0.000 0.370
N 0.500 0.500 0.003 |
Below is a description of a material. | The chemical formula is: LuScB2O6.
The XRD pattern shows main peaks at: 17.0°(0.33), 21.9°(0.59), 24.0°(0.94), 31.2°(1.0), 35.8°(0.18), 37.1°(0.34), 41.0°(0.31), 43.5°(0.12), 44.7°(0.29), 49.2°(0.19), 51.5°(0.59), 59.4°(0.24), 66.8°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates ... | JVASP-111032 | 5.92 5.92 5.92
48 48 48
Lu 0.500 0.500 0.500
Sc 0.000 0.000 0.000
B 0.253 0.253 0.253
B 0.747 0.747 0.747
O 0.543 0.972 0.241
O 0.241 0.543 0.972
O 0.972 0.241 0.543
O 0.759 0.457 0.028
O 0.028 0.759 0.457
O 0.457 0.028 0.759 |
Below is a description of a material. | The chemical formula is: SnH4C2F2.
The XRD pattern shows main peaks at: 17.4°(1.0), 21.2°(0.73), 21.8°(0.68), 26.2°(0.46), 27.2°(0.22), 27.9°(0.17), 29.7°(0.27), 34.5°(0.12), 35.3°(0.34), 39.4°(0.11), 41.1°(0.09), 42.1°(0.11), 43.1°(0.15), 43.9°(0.13), 44.4°(0.17), 45.1°(0.2), 45.8°(0.11), 47.3°(0.11), 50.2°(0.08), 54.... | JVASP-112122 | 4.35 6.21 7.11
100 101 97
Sn 0.979 0.629 0.542
Sn 0.914 0.109 0.028
H 0.665 0.232 0.715
H 0.301 0.567 0.880
H 0.243 0.322 0.693
H 0.739 0.466 0.914
H 0.899 0.027 0.481
H 0.693 0.758 0.146
H 0.096 0.751 0.131
H 0.298 -0.004 0.469
C 0.123 0.443 0.765
C 0.849 0.342 0.836
C 0.046 0.919 0.416
C 0.939 0.851 0.195
F 0.783 0.8... |
Below is a description of a material. | The chemical formula is: Ga2Se.
The XRD pattern shows main peaks at: 18.4°(0.1), 22.6°(0.18), 29.3°(0.47), 32.4°(0.13), 37.6°(1.0), 44.2°(0.38), 46.2°(0.21), 46.9°(0.2), 55.8°(0.13), 56.3°(0.14), 62.4°(0.09), 65.9°(0.18), 66.3°(0.13), 67.9°(0.12), 79.8°(0.11), 80.8°(0.11), 88.6°(0.1).
Generate atomic structure descript... | JVASP-184095 | 3.93 4.82 3.88
89 90 89
Ga 0.489 0.861 0.567
Ga 0.989 0.455 0.567
Se 0.988 0.084 0.067 |
Below is a description of a material. | The chemical formula is: Pr3Nd.
The XRD pattern shows main peaks at: 27.9°(0.08), 28.9°(0.42), 30.0°(0.35), 31.7°(1.0), 36.0°(0.23), 41.4°(0.06), 47.6°(0.11), 49.3°(0.26), 58.1°(0.06), 58.8°(0.31), 59.8°(0.17), 81.1°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124035 | 3.70 3.70 11.91
90 90 120
Pr 0.000 0.000 0.500
Pr 0.333 0.667 0.249
Pr 0.667 0.333 0.751
Nd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Nb2VMo.
The XRD pattern shows main peaks at: 39.8°(1.0), 57.5°(0.15), 72.2°(0.3), 85.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156954 | 4.53 4.53 4.53
60 60 60
Nb 0.000 0.000 0.000
Nb 0.500 0.500 0.500
V 0.750 0.750 0.750
Mo 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: PrSbTe.
The XRD pattern shows main peaks at: 22.3°(0.11), 27.6°(0.15), 28.0°(0.4), 28.8°(0.22), 30.3°(1.0), 34.5°(0.79), 34.8°(0.55), 41.1°(0.55), 48.0°(0.09), 50.5°(0.33), 52.1°(0.15), 54.9°(0.31), 56.5°(0.06), 59.6°(0.2), 67.1°(0.14), 68.4°(0.24), 70.7°(0.23), 85.4°(0.09), 89.3°(0.07).
Genera... | JVASP-35036 | 4.39 4.39 9.58
90 90 90
Pr 0.500 0.000 0.725
Pr 0.000 0.500 0.275
Sb 0.500 0.500 0.000
Sb 0.000 0.000 0.000
Te 0.500 0.000 0.375
Te 0.000 0.500 0.625 |
Below is a description of a material. | The chemical formula is: Li3Au.
The XRD pattern shows main peaks at: 24.8°(1.0), 27.1°(0.18), 29.5°(0.31), 40.5°(0.35), 42.2°(0.14), 46.6°(0.18), 49.5°(0.31), 50.9°(0.14), 64.6°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106257 | 4.47 4.47 4.47
122 122 85
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Li 0.500 0.500 0.000
Au 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SiP2O7.
The XRD pattern shows main peaks at: 14.6°(0.56), 22.9°(1.0), 26.2°(0.31), 29.5°(0.12), 31.1°(0.21), 36.9°(0.14), 38.0°(0.12), 38.7°(0.08), 44.3°(0.19), 54.0°(0.09), 60.1°(0.08), 67.9°(0.07), 68.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-34390 | 4.74 4.74 12.12
90 90 120
Si 0.000 0.000 0.000
Si 0.000 0.000 0.500
P 0.333 0.667 0.880
P 0.667 0.333 0.120
P 0.667 0.333 0.380
P 0.333 0.667 0.620
O 0.939 0.269 0.414
O 0.731 0.670 0.414
O 0.670 0.939 0.586
O 0.939 0.269 0.086
O 0.061 0.731 0.914
O 0.330 0.061 0.414
O 0.670 0.939 0.914
O 0.333 0.667 0.750
O 0.269 0.33... |
Below is a description of a material. | The chemical formula is: TiGe2O6.
The XRD pattern shows main peaks at: 18.7°(0.3), 19.1°(0.35), 19.8°(0.4), 24.1°(0.17), 26.2°(0.29), 28.7°(1.0), 30.0°(0.53), 32.9°(0.09), 34.1°(0.43), 35.7°(0.24), 37.7°(0.08), 44.0°(0.15), 45.7°(0.21), 46.1°(0.09), 53.3°(0.26), 55.0°(0.23), 64.2°(0.08), 65.6°(0.12), 66.9°(0.11), 72.9°... | JVASP-10315 | 5.59 6.74 6.74
83 75 75
Ti 0.750 0.899 0.101
Ti 0.250 0.101 0.899
Ge 0.753 0.381 0.208
Ge 0.747 0.792 0.619
Ge 0.247 0.619 0.792
Ge 0.253 0.208 0.381
O 0.627 0.963 0.825
O 0.873 0.175 0.037
O 0.747 0.629 0.087
O 0.753 0.913 0.371
O 0.253 0.371 0.913
O 0.566 0.605 0.664
O -0.066 0.336 0.395
O 0.127 0.825 0.963
O 0.066 0... |
Below is a description of a material. | The chemical formula is: Sm2Ga9Ru5.
The XRD pattern shows main peaks at: 28.8°(0.15), 31.7°(0.14), 33.3°(0.23), 38.0°(0.23), 39.3°(1.0), 39.7°(0.19), 41.2°(0.71), 48.4°(0.19), 58.6°(0.16), 59.7°(0.18), 73.8°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-163626 | 6.20 6.20 8.10
112 112 90
Sm 0.500 -0.000 -0.000
Sm 0.000 0.500 -0.000
Ga 0.860 0.440 0.300
Ga 0.140 0.140 0.700
Ga 0.440 0.860 0.300
Ga 0.860 0.860 0.300
Ga 0.140 0.560 0.700
Ga 0.560 0.140 0.700
Ga 0.560 0.560 0.700
Ga 0.000 -0.000 -0.000
Ga 0.440 0.440 0.300
Ru 0.179 0.179 0.358
Ru 0.821 0.821 0.642
Ru 0.750 0.250 0... |
Below is a description of a material. | The chemical formula is: NaHCO2.
The XRD pattern shows main peaks at: 20.7°(0.72), 26.4°(0.72), 30.9°(0.29), 32.2°(0.28), 33.2°(1.0), 39.3°(0.57), 42.9°(0.19), 43.4°(0.26), 43.8°(0.15), 45.8°(0.34), 47.4°(0.09), 49.5°(0.16), 51.1°(0.09), 53.6°(0.28), 57.5°(0.12), 60.7°(0.13), 67.3°(0.09).
Generate atomic structure desc... | JVASP-12553 | 4.60 4.60 6.08
108 108 94
Na 0.864 0.136 0.250
Na 0.136 0.864 0.750
H 0.446 0.554 0.250
H 0.554 0.446 0.750
C 0.280 0.720 0.250
C 0.720 0.280 0.750
O 0.337 0.950 0.188
O 0.050 0.663 0.312
O 0.950 0.337 0.688
O 0.663 0.050 0.812 |
Below is a description of a material. | The chemical formula is: BeZnFe2.
The XRD pattern shows main peaks at: 24.3°(0.05), 28.3°(0.4), 44.2°(1.0), 45.4°(0.1), 49.9°(0.18), 52.3°(0.28), 60.6°(0.08), 71.7°(0.05), 75.2°(0.19), 77.2°(0.08), 89.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-71886 | 4.41 4.41 4.41
133 133 68
Be 0.750 0.250 0.500
Zn 0.250 0.750 0.500
Fe 0.000 0.000 0.000
Fe 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: YbLuPd2.
The XRD pattern shows main peaks at: 26.1°(0.06), 37.2°(1.0), 53.7°(0.17), 67.1°(0.36), 79.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37628 | 4.83 4.83 4.83
60 60 60
Yb 0.750 0.750 0.750
Lu 0.250 0.250 0.250
Pd 0.000 0.000 0.000
Pd 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: ScTi2Ga4.
The XRD pattern shows main peaks at: 21.1°(0.14), 27.0°(0.19), 32.9°(0.38), 34.6°(0.66), 38.3°(0.45), 38.6°(0.95), 43.1°(1.0), 44.4°(0.83), 51.6°(0.16), 52.8°(0.31), 55.8°(0.15), 59.8°(0.12), 66.8°(0.26), 68.9°(0.14), 69.6°(0.27), 74.0°(0.2), 80.4°(0.3), 81.9°(0.19), 82.6°(0.17), 86.0... | JVASP-35424 | 5.40 5.40 5.40
104 104 119
Sc 0.000 0.000 0.000
Ti 0.750 0.250 0.500
Ti 0.250 0.750 0.500
Ga 0.701 0.701 0.401
Ga 0.299 0.299 0.599
Ga 0.299 0.701 -0.000
Ga 0.701 0.299 0.000 |
Below is a description of a material. | The chemical formula is: Sr3MgFe2S2O5.
The XRD pattern shows main peaks at: 6.5°(0.66), 13.0°(0.06), 32.6°(1.0), 37.6°(0.1), 38.3°(0.12), 46.9°(0.27), 58.3°(0.27), 68.5°(0.08), 78.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11587 | 3.87 3.87 13.93
97 97 90
Sr 0.500 0.500 0.000
Sr 0.637 0.637 0.274
Sr 0.363 0.363 0.726
Mg 0.750 0.250 0.500
Fe 0.070 0.070 0.140
Fe 0.930 0.930 0.860
S 0.193 0.193 0.386
S 0.807 0.807 0.614
O 0.077 0.577 0.154
O 0.578 0.078 0.155
O 0.922 0.422 0.845
O 0.423 0.923 0.846
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AgSb5.
The XRD pattern shows main peaks at: 29.4°(1.0), 41.8°(0.41), 42.2°(0.35), 51.9°(0.21), 60.9°(0.12), 68.7°(0.18), 76.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124629 | 4.32 4.32 10.43
90 90 120
Ag 0.000 0.000 0.250
Sb 0.667 0.333 0.106
Sb 0.667 0.333 0.572
Sb 0.333 0.667 0.394
Sb 0.333 0.667 0.928
Sb 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: MgNi2O4.
The XRD pattern shows main peaks at: 18.7°(0.38), 21.6°(0.11), 30.8°(0.24), 36.2°(1.0), 37.9°(0.09), 44.0°(0.3), 58.3°(0.31), 64.0°(0.28).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10598 | 5.81 5.83 5.83
60 59 59
Mg 0.974 0.009 0.009
Mg 0.125 0.625 0.625
Ni 0.258 0.247 0.247
Ni 0.625 0.123 0.626
Ni 0.625 0.626 0.123
Ni 0.625 0.626 0.626
O 0.408 0.376 0.376
O 0.408 0.376 0.840
O 0.408 0.840 0.376
O 0.861 0.380 0.380
O 0.398 0.867 0.867
O 0.845 0.417 0.869
O 0.845 0.869 0.417
O 0.845 0.869 0.869 |
Below is a description of a material. | The chemical formula is: Tm2CdSe4.
The XRD pattern shows main peaks at: 13.2°(0.3), 21.6°(0.17), 25.4°(0.97), 30.8°(0.67), 40.3°(0.45), 44.1°(1.0), 54.7°(0.18), 64.1°(0.16), 81.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-11201 | 8.22 8.22 8.22
60 60 60
Tm 0.500 0.500 0.000
Tm 0.500 0.500 0.500
Tm -0.000 0.500 0.500
Tm 0.500 0.000 0.500
Cd 0.875 0.875 0.875
Cd 0.125 0.125 0.125
Se 0.742 0.742 0.742
Se 0.258 0.258 0.727
Se 0.258 0.727 0.258
Se 0.727 0.258 0.258
Se 0.742 0.273 0.742
Se 0.273 0.742 0.742
Se 0.258 0.258 0.258
Se 0.742 0.742 0.273 |
Below is a description of a material. | The chemical formula is: Li3Mn2O5.
The XRD pattern shows main peaks at: 12.5°(0.11), 18.7°(1.0), 20.1°(0.11), 22.9°(0.07), 26.9°(0.06), 29.1°(0.05), 37.1°(0.36), 38.8°(0.07), 44.8°(0.84), 48.9°(0.11), 58.9°(0.12), 64.6°(0.24), 65.8°(0.22), 83.1°(0.07).
Generate atomic structure description with lattice lengths, angles,... | JVASP-112905 | 5.02 7.51 4.91
70 71 83
Li 0.500 0.800 0.100
Li 0.000 0.800 0.600
Li 0.500 0.196 0.902
Li 0.500 0.404 0.298
Li 0.500 0.611 0.695
Li 0.500 0.989 0.505
Mn 0.000 0.993 0.003
Mn 0.000 0.197 0.401
Mn -0.000 0.607 0.197
Mn -0.000 0.403 0.799
O 0.774 0.588 0.957
O 0.234 0.800 0.873
O 0.766 0.800 0.327
O 0.225 0.199 0.658
O 0.... |
Below is a description of a material. | The chemical formula is: Ho8Cl.
The XRD pattern shows main peaks at: 3.7°(0.06), 29.5°(0.24), 30.3°(0.27), 31.4°(0.12), 33.0°(1.0), 34.9°(0.62), 52.0°(0.35), 62.9°(0.14), 64.1°(0.1), 85.9°(0.13), 87.0°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-130748 | 3.52 3.52 23.90
90 90 120
Ho 0.000 0.000 0.206
Ho 0.667 0.333 0.091
Ho 0.667 0.333 0.324
Ho 0.667 0.333 0.558
Ho 0.333 0.667 0.442
Ho 0.333 0.667 0.676
Ho 0.333 0.667 0.909
Ho 0.000 0.000 0.794
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: SrNiIr2.
The XRD pattern shows main peaks at: 27.3°(0.21), 38.9°(1.0), 48.2°(0.07), 56.2°(0.17), 63.6°(0.1), 70.5°(0.37), 83.6°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-51144 | 4.63 4.63 4.63
60 60 60
Sr 0.500 0.500 0.500
Ni 0.000 0.000 0.000
Ir 0.250 0.250 0.250
Ir 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Li7Cr2O8.
The XRD pattern shows main peaks at: 18.7°(0.24), 19.5°(0.78), 21.4°(0.89), 22.5°(1.0), 24.5°(0.46), 26.0°(0.99), 27.5°(0.19), 28.0°(0.71), 30.9°(0.23), 31.9°(0.61), 35.6°(0.19), 36.4°(0.2), 39.6°(0.22), 42.0°(0.36), 44.5°(0.56), 47.9°(0.28), 50.4°(0.21), 58.6°(0.18), 62.6°(0.18), 65.... | JVASP-47899 | 5.14 5.21 7.75
69 81 67
Li 0.763 0.224 0.011
Li 0.269 0.230 0.209
Li 0.713 0.063 0.454
Li 0.241 0.951 0.542
Li 0.801 0.516 0.566
Li 0.726 0.773 0.813
Li 0.221 0.800 -0.002
Cr 0.295 0.371 0.767
Cr 0.702 0.622 0.227
O 0.558 0.491 0.788
O 0.845 0.815 0.029
O 0.497 0.474 0.162
O 0.946 0.307 0.382
O 0.546 0.850 0.365
O 0.43... |
Below is a description of a material. | The chemical formula is: LiCa2Hg.
The XRD pattern shows main peaks at: 20.4°(1.0), 23.6°(0.19), 33.6°(0.94), 39.7°(0.53), 41.5°(0.07), 48.3°(0.18), 53.0°(0.22), 54.4°(0.09), 60.1°(0.33), 64.2°(0.19), 70.7°(0.11), 74.5°(0.18), 75.7°(0.05), 80.6°(0.15), 84.2°(0.07).
Generate atomic structure description with lattice leng... | JVASP-40312 | 5.33 5.33 5.33
60 60 60
Li 0.750 0.750 0.750
Ca 0.500 0.500 0.500
Ca 0.000 0.000 0.000
Hg 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: PrZnIn.
The XRD pattern shows main peaks at: 21.6°(0.05), 24.6°(0.05), 31.8°(1.0), 38.0°(0.58), 47.1°(0.11), 50.4°(0.26), 62.0°(0.27), 64.8°(0.24), 68.6°(0.1), 81.1°(0.06), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35044 | 4.74 4.74 7.71
90 90 120
Pr 0.000 0.000 0.500
Pr 0.000 0.000 0.000
Zn 0.333 0.667 0.750
Zn 0.667 0.333 0.250
In 0.333 0.667 0.250
In 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: LiC12.
The XRD pattern shows main peaks at: 25.5°(1.0), 42.1°(0.13), 49.9°(0.19), 52.5°(0.08), 76.9°(0.07), 82.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-35211 | 4.29 4.29 6.97
90 90 119
Li 0.000 0.000 0.000
C 0.333 -0.000 0.266
C 0.667 0.667 0.266
C -0.000 0.333 0.266
C 0.667 0.000 0.266
C 0.333 0.333 0.266
C 0.000 0.667 0.266
C 0.667 0.000 0.734
C 0.333 0.333 0.734
C 0.000 0.667 0.734
C 0.333 -0.000 0.734
C 0.667 0.667 0.734
C -0.000 0.333 0.734 |
Below is a description of a material. | The chemical formula is: Sr2MnSbO6.
The XRD pattern shows main peaks at: 19.3°(0.14), 31.4°(1.0), 32.5°(0.51), 43.3°(0.2), 46.6°(0.3), 55.2°(0.21), 57.3°(0.4), 65.5°(0.2), 68.1°(0.07), 72.0°(0.09), 77.5°(0.09), 84.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100544 | 5.71 5.71 5.71
122 122 86
Sr 0.250 0.750 0.500
Sr 0.750 0.250 0.500
Mn 0.500 0.500 -0.000
Sb 0.000 0.000 0.000
O 0.239 0.239 -0.000
O 0.761 0.761 0.000
O 0.209 0.302 0.511
O 0.791 0.698 0.489
O 0.302 0.791 0.092
O 0.698 0.209 0.908 |
Below is a description of a material. | The chemical formula is: UH2O4.
The XRD pattern shows main peaks at: 15.5°(1.0), 21.4°(0.6), 22.7°(0.83), 25.9°(0.22), 27.1°(0.19), 31.1°(0.35), 31.7°(0.34), 37.4°(0.1), 38.0°(0.11), 39.2°(0.12), 43.5°(0.14), 45.2°(0.16), 45.8°(0.07), 46.3°(0.13), 47.7°(0.08), 48.8°(0.13), 49.3°(0.12), 50.0°(0.1), 51.3°(0.11), 54.4°(0.... | JVASP-85497 | 4.18 6.09 7.23
35 73 69
U 0.989 0.047 0.953
H 0.420 0.578 0.948
H 0.947 0.515 0.958
O 0.170 0.699 0.934
O 0.804 0.394 0.973
O 0.485 0.047 0.953
O 0.990 0.547 0.453 |
Below is a description of a material. | The chemical formula is: BiSe.
The XRD pattern shows main peaks at: 7.0°(1.0), 21.0°(0.08), 23.5°(0.1), 28.1°(0.09), 29.8°(0.17), 30.6°(0.16), 36.7°(0.08), 41.4°(0.13), 42.6°(0.06), 43.2°(0.06), 51.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29617 | 4.24 4.24 13.06
99 99 89
Bi 0.684 0.684 0.371
Bi 0.313 0.313 0.629
Se 0.799 0.799 0.604
Se 0.196 0.196 0.396 |
Below is a description of a material. | The chemical formula is: Ce2CdSb4.
The XRD pattern shows main peaks at: 21.9°(0.08), 25.2°(0.07), 26.3°(0.22), 29.9°(0.09), 32.5°(0.11), 33.4°(1.0), 39.7°(0.13), 41.0°(0.34), 47.6°(0.11), 49.4°(0.08), 53.3°(0.05), 54.2°(0.12), 58.4°(0.08), 59.4°(0.11), 64.6°(0.08), 69.9°(0.23).
Generate atomic structure description wit... | JVASP-102787 | 4.40 4.40 10.61
90 90 90
Ce 0.500 0.000 0.765
Ce 0.000 0.500 0.235
Cd 0.500 0.500 0.500
Sb 0.500 0.000 0.323
Sb 0.000 0.500 0.677
Sb 0.500 0.500 0.000
Sb 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: UMn2Si2.
The XRD pattern shows main peaks at: 18.7°(0.14), 24.3°(0.88), 31.8°(0.19), 36.3°(0.69), 37.2°(1.0), 37.9°(0.17), 45.6°(0.37), 52.4°(0.23), 53.5°(0.22), 59.6°(0.31), 60.8°(0.17), 66.5°(0.13), 68.0°(0.17), 78.7°(0.22).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-86707 | 3.98 3.98 5.52
111 111 90
U 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Mn 0.750 0.250 0.500
Si 0.626 0.626 0.252
Si 0.374 0.374 0.748 |
Below is a description of a material. | The chemical formula is: Pr3Al.
The XRD pattern shows main peaks at: 18.0°(0.2), 25.6°(0.17), 31.4°(1.0), 36.5°(0.52), 41.0°(0.09), 45.1°(0.07), 52.5°(0.38), 56.0°(0.05), 62.5°(0.45), 65.6°(0.13), 77.5°(0.06), 86.0°(0.19), 88.8°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-20578 | 4.93 4.93 4.93
90 90 90
Pr 0.000 0.500 0.500
Pr 0.500 0.500 0.000
Pr 0.500 0.000 0.500
Al 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: AlInSb2.
The XRD pattern shows main peaks at: 11.9°(0.09), 23.0°(0.08), 24.0°(1.0), 27.8°(0.06), 30.4°(0.07), 36.4°(0.05), 39.7°(0.7), 47.0°(0.46), 57.5°(0.11), 72.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-109795 | 7.87 7.87 7.87
33 33 33
Al 1.000 1.000 1.000
In 0.501 0.501 0.501
Sb 0.120 0.120 0.120
Sb 0.629 0.629 0.629 |
Below is a description of a material. | The chemical formula is: S2F.
The XRD pattern shows main peaks at: 24.9°(0.11), 28.1°(1.0), 37.8°(0.06), 43.8°(0.8), 52.8°(0.79), 58.0°(0.11), 75.4°(0.25), 80.5°(0.11), 87.3°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114024 | 4.13 4.13 3.18
90 90 120
S 0.333 0.667 0.000
S 0.667 0.333 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Te4Mo3WSe4.
The XRD pattern shows main peaks at: 2.4°(1.0), 4.7°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29180 | 3.44 3.44 37.40
89 90 120
Te 0.333 0.667 0.328
Te 0.667 0.333 0.423
Te 0.667 0.333 0.522
Te 0.333 0.667 0.229
Mo 0.333 0.667 0.095
Mo 0.333 0.667 0.473
Mo 0.667 0.333 0.278
W 0.667 0.333 0.657
Se 0.333 0.667 0.701
Se 0.667 0.333 0.051
Se 0.667 0.333 0.139
Se 0.333 0.667 0.613 |
Below is a description of a material. | The chemical formula is: Mg2Cu.
The XRD pattern shows main peaks at: 19.6°(0.88), 27.9°(0.13), 35.6°(0.29), 39.7°(1.0), 44.6°(0.66), 53.4°(0.12), 64.8°(0.07), 68.3°(0.08), 68.8°(0.08), 72.0°(0.24).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41252 | 5.24 6.39 5.24
127 60 127
Mg 0.915 0.082 0.081
Mg 0.252 0.084 0.419
Mg 0.415 0.747 0.581
Mg 0.752 0.420 0.919
Cu 0.333 0.583 -0.000
Cu 0.833 0.583 0.500 |
Below is a description of a material. | The chemical formula is: YPaTc2.
The XRD pattern shows main peaks at: 22.5°(0.14), 26.0°(0.06), 37.1°(1.0), 43.8°(0.09), 53.4°(0.17), 66.8°(0.36), 79.0°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37445 | 4.85 4.85 4.85
60 60 60
Y 0.750 0.750 0.750
Pa 0.250 0.250 0.250
Tc 0.500 0.500 0.500
Tc 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YbLi3.
The XRD pattern shows main peaks at: 15.2°(0.39), 22.8°(1.0), 26.5°(0.45), 30.7°(0.09), 34.1°(0.09), 35.2°(0.41), 37.6°(0.08), 43.7°(0.24), 44.6°(0.33), 46.7°(0.09), 54.7°(0.1), 59.1°(0.09), 59.8°(0.13), 61.8°(0.08), 65.9°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-99804 | 6.73 6.73 5.25
90 90 120
Yb 0.333 0.667 0.750
Yb 0.667 0.333 0.250
Li 0.147 0.293 0.250
Li 0.707 0.853 0.250
Li 0.147 0.853 0.250
Li 0.853 0.707 0.750
Li 0.293 0.147 0.750
Li 0.853 0.147 0.750 |
Below is a description of a material. | The chemical formula is: TiAlRuOs.
The XRD pattern shows main peaks at: 25.3°(0.14), 29.3°(0.46), 41.9°(1.0), 51.9°(0.14), 60.7°(0.18), 68.8°(0.18), 76.4°(0.32).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187366 | 4.32 4.32 4.32
60 60 60
Ru 0.000 -0.000 -0.000
Os 0.500 0.500 0.500
Al 0.750 0.750 0.750
Ti 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: HCF.
The XRD pattern shows main peaks at: 29.9°(1.0), 42.3°(0.44), 52.7°(0.3), 53.1°(0.54), 62.1°(0.08), 70.1°(0.35), 78.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-134338 | 3.45 3.45 2.14
90 90 120
H 0.667 0.333 0.000
C 0.000 0.000 0.000
F 0.333 0.667 0.000 |
Below is a description of a material. | The chemical formula is: UO3.
The XRD pattern shows main peaks at: 21.3°(1.0), 30.3°(0.59), 37.4°(0.18), 43.4°(0.19), 48.9°(0.47), 53.9°(0.28), 63.1°(0.13), 67.4°(0.21), 71.6°(0.12), 75.7°(0.09), 83.7°(0.11), 87.6°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-1257 | 4.17 4.17 4.17
90 90 90
U 0.000 0.000 0.000
O 0.000 0.500 0.000
O 0.500 0.000 0.000
O 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: Ca2InN.
The XRD pattern shows main peaks at: 8.8°(0.68), 17.6°(0.18), 25.1°(0.33), 25.9°(0.48), 28.8°(0.23), 31.6°(0.48), 32.1°(1.0), 34.0°(0.63), 36.1°(0.46), 38.6°(0.44), 40.6°(0.16), 44.9°(0.21), 46.8°(0.13), 50.4°(0.2), 51.8°(0.17), 52.4°(0.16), 55.4°(0.11), 62.4°(0.14), 62.8°(0.28), 65.3°(... | JVASP-26952 | 3.49 4.98 10.23
90 99 90
Ca 0.782 0.250 0.563
Ca 0.218 0.750 0.437
Ca 0.621 0.250 0.242
Ca 0.379 0.750 0.758
In 0.959 0.250 0.919
In 0.041 0.750 0.081
N 0.199 0.250 0.399
N 0.801 0.750 0.601 |
Below is a description of a material. | The chemical formula is: MgBeTe.
The XRD pattern shows main peaks at: 20.9°(1.0), 21.5°(0.63), 30.2°(0.83), 36.7°(0.46), 42.9°(0.63), 43.9°(0.1), 48.2°(0.23), 49.1°(0.21), 58.5°(0.24), 62.1°(0.19), 62.8°(0.1), 70.3°(0.14), 80.0°(0.1), 82.0°(0.09), 82.7°(0.09).
Generate atomic structure description with lattice lengths,... | JVASP-134094 | 4.90 4.90 4.13
90 90 120
Mg 0.333 0.667 0.000
Be 0.000 0.000 0.000
Te 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: SrLiSb.
The XRD pattern shows main peaks at: 24.0°(0.81), 30.3°(0.18), 30.8°(1.0), 33.8°(0.05), 35.1°(0.08), 37.0°(0.42), 37.4°(0.26), 39.9°(0.22), 44.8°(0.16), 49.1°(0.19), 52.2°(0.05), 55.7°(0.1), 59.0°(0.11), 59.8°(0.19), 63.4°(0.11), 65.0°(0.07), 67.2°(0.07), 84.6°(0.05).
Generate atomic st... | JVASP-10174 | 4.81 8.04 8.44
90 90 90
Sr 0.750 0.997 0.292
Sr 0.250 0.003 0.708
Sr 0.750 0.497 0.208
Sr 0.250 0.503 0.792
Li 0.750 0.839 0.924
Li 0.250 0.161 0.076
Li 0.750 0.339 0.576
Li 0.250 0.661 0.424
Sb 0.250 0.777 0.093
Sb 0.750 0.223 0.907
Sb 0.250 0.277 0.407
Sb 0.750 0.723 0.593 |
Below is a description of a material. | The chemical formula is: Na2FeO3.
The XRD pattern shows main peaks at: 17.6°(0.26), 18.9°(0.72), 22.6°(0.06), 25.1°(0.15), 29.1°(0.06), 31.5°(0.07), 33.9°(0.41), 35.9°(0.15), 38.7°(1.0), 40.0°(0.05), 42.2°(0.43), 53.6°(0.06), 54.6°(0.11), 55.4°(0.06), 57.2°(0.31), 60.0°(0.23), 65.7°(0.06), 66.8°(0.08), 69.4°(0.06), 71.... | JVASP-48674 | 5.75 5.75 5.21
82 97 57
Na 0.587 0.594 0.492
Na 0.259 0.252 0.510
Na 0.748 0.741 0.010
Na 0.406 0.413 0.992
Fe 0.952 0.917 0.511
Fe 0.083 0.048 0.011
O 0.286 0.862 0.770
O 0.138 0.714 0.270
O 0.956 0.626 0.670
O 0.754 0.145 0.745
O 0.374 0.044 0.170
O 0.855 0.246 0.245 |
Below is a description of a material. | The chemical formula is: Ba2SnSe.
The XRD pattern shows main peaks at: 30.4°(1.0), 43.6°(0.2), 54.1°(0.43), 63.3°(0.12), 71.9°(0.19), 88.0°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-69022 | 5.87 5.87 5.87
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Sn 0.500 0.500 0.500
Se 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: HfMnCu2S4.
The XRD pattern shows main peaks at: 18.1°(0.24), 28.4°(1.0), 29.8°(0.08), 32.6°(0.13), 33.3°(0.06), 37.6°(0.09), 44.7°(0.05), 46.8°(0.21), 47.3°(0.37), 55.6°(0.28), 56.6°(0.14), 58.7°(0.05), 68.4°(0.06), 75.6°(0.06), 76.4°(0.11), 87.3°(0.13).
Generate atomic structure description wi... | JVASP-155404 | 6.63 6.63 6.63
131 131 71
Hf 0.000 0.000 0.000
Mn 0.500 0.500 0.000
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
S 0.617 0.121 0.000
S 0.121 0.617 -0.000
S 0.879 0.879 0.495
S 0.383 0.383 0.505 |
Below is a description of a material. | The chemical formula is: AcPt3.
The XRD pattern shows main peaks at: 35.9°(1.0), 41.7°(0.5), 60.5°(0.3), 72.4°(0.37), 76.1°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128038 | 4.33 4.33 4.33
90 90 90
Ac 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 |
Below is a description of a material. | The chemical formula is: SnBr2.
The XRD pattern shows main peaks at: 17.8°(0.97), 23.7°(0.28), 26.9°(0.92), 28.4°(0.27), 34.9°(1.0), 36.1°(0.51), 40.6°(0.35), 43.6°(0.65), 44.7°(0.19), 45.6°(0.17), 50.3°(0.11), 52.0°(0.1), 53.7°(0.12), 55.4°(0.4), 57.9°(0.11), 67.9°(0.16), 69.4°(0.1), 70.2°(0.27), 70.9°(0.13), 75.9°(0.... | JVASP-37353 | 7.04 7.04 4.44
90 90 90
Sn 0.000 0.000 0.000
Sn 0.500 0.500 0.500
Br 0.298 0.298 0.000
Br 0.702 0.702 0.000
Br 0.202 0.798 0.500
Br 0.798 0.202 0.500 |
Below is a description of a material. | The chemical formula is: YbSm4S5.
The XRD pattern shows main peaks at: 27.3°(0.82), 31.7°(1.0), 45.4°(0.39), 53.8°(0.25), 56.4°(0.2), 75.2°(0.17), 83.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-168863 | 4.00 4.00 16.49
96 83 120
Yb -0.000 0.000 -0.000
Sm 0.599 0.401 0.203
Sm 0.201 0.799 0.397
Sm 0.799 0.201 0.603
Sm 0.401 0.599 0.797
S 0.699 0.301 0.903
S 0.500 0.500 0.500
S 0.100 0.900 0.701
S 0.301 0.699 0.097
S 0.900 0.100 0.299 |
Below is a description of a material. | The chemical formula is: Ca3Pd.
The XRD pattern shows main peaks at: 18.4°(0.22), 26.2°(0.19), 32.2°(1.0), 37.3°(0.44), 42.0°(0.1), 46.2°(0.09), 53.8°(0.28), 57.4°(0.06), 64.1°(0.33), 67.4°(0.1), 88.5°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129877 | 4.82 4.82 4.82
90 90 90
Ca 0.000 0.500 0.500
Ca 0.500 0.000 0.500
Ca 0.500 0.500 0.000
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: NdTi3FeCu3O12.
The XRD pattern shows main peaks at: 16.8°(0.19), 24.0°(0.14), 34.0°(1.0), 34.4°(0.97), 38.5°(0.11), 42.0°(0.13), 49.1°(0.5), 61.1°(0.47), 61.9°(0.22), 71.5°(0.12), 72.5°(0.12), 81.9°(0.14), 82.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordina... | JVASP-59279 | 6.35 6.45 6.45
109 109 109
Nd 0.000 0.000 0.000
Ti -0.000 0.500 0.000
Ti 0.500 0.500 0.500
Ti -0.000 -0.000 0.500
Fe 0.500 0.000 0.000
Cu -0.000 0.500 0.500
Cu 0.500 0.500 0.000
Cu 0.500 -0.000 0.500
O 0.124 0.823 0.298
O 0.175 0.298 0.476
O 0.305 0.120 0.824
O 0.301 0.476 0.177
O 0.699 0.524 0.823
O 0.481 0.176 0.296
... |
Below is a description of a material. | The chemical formula is: Ba4SnBr.
The XRD pattern shows main peaks at: 15.3°(0.16), 25.1°(0.21), 29.5°(1.0), 30.9°(0.55), 35.8°(0.1), 44.3°(0.08), 47.1°(0.41), 51.6°(0.34), 60.6°(0.13), 61.3°(0.22), 72.4°(0.26), 75.9°(0.06), 83.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-64289 | 7.09 7.09 7.09
60 60 60
Ba 0.122 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.122 0.626
Ba 0.626 0.626 0.122
Sn 0.000 0.000 0.000
Br 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Sr3PbO.
The XRD pattern shows main peaks at: 17.2°(0.12), 24.4°(0.21), 30.0°(1.0), 34.8°(0.55), 39.0°(0.07), 42.9°(0.1), 50.0°(0.41), 59.4°(0.44), 62.3°(0.14), 73.4°(0.06), 81.2°(0.18), 83.8°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189403 | 5.16 5.16 5.16
90 90 90
Pb 0.500 0.500 0.500
Sr 0.000 0.500 0.000
Sr 0.000 0.000 0.500
Sr 0.500 0.000 0.000
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: TbGaCo.
The XRD pattern shows main peaks at: 23.4°(0.06), 24.6°(0.21), 26.5°(0.06), 34.8°(0.73), 35.7°(0.25), 36.5°(1.0), 37.9°(0.28), 41.9°(0.33), 44.0°(0.41), 47.1°(0.1), 54.9°(0.12), 57.8°(0.12), 59.4°(0.16), 60.8°(0.07), 62.5°(0.14), 66.4°(0.07), 68.6°(0.19), 74.8°(0.07), 75.9°(0.11), 79.7°... | JVASP-141669 | 4.12 6.72 7.60
90 90 90
Tb 0.250 0.026 0.814
Tb 0.250 0.526 0.686
Tb 0.750 0.974 0.186
Tb 0.750 0.474 0.314
Ga 0.250 0.156 0.434
Ga 0.250 0.656 0.066
Ga 0.750 0.844 0.566
Ga 0.750 0.344 0.934
Co 0.250 0.775 0.385
Co 0.250 0.275 0.115
Co 0.750 0.225 0.615
Co 0.750 0.725 0.885 |
Below is a description of a material. | The chemical formula is: AgAs5.
The XRD pattern shows main peaks at: 32.7°(1.0), 46.2°(0.34), 47.5°(0.32), 58.9°(0.18), 68.5°(0.11), 78.9°(0.14), 87.6°(0.12), 88.6°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128824 | 3.83 3.83 9.75
90 90 119
Ag 0.333 0.667 0.917
As 0.000 0.000 0.745
As 0.000 0.000 0.248
As 0.667 0.333 0.088
As 0.667 0.333 0.585
As 0.333 0.667 0.417 |
Below is a description of a material. | The chemical formula is: NdAsSe.
The XRD pattern shows main peaks at: 19.7°(0.09), 23.9°(0.25), 24.3°(0.29), 31.3°(0.4), 32.8°(0.81), 37.2°(1.0), 44.4°(0.3), 45.2°(0.33), 51.2°(0.07), 51.8°(0.07), 65.2°(0.19), 75.5°(0.07), 77.0°(0.09), 78.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-85778 | 4.01 4.08 17.99
90 90 90
Nd 0.750 0.229 0.140
Nd 0.750 0.271 0.640
Nd 0.250 0.771 0.860
Nd 0.250 0.729 0.360
As 0.750 0.796 0.502
As 0.750 0.704 0.002
As 0.250 0.204 0.498
As 0.250 0.296 0.998
Se 0.750 0.232 0.313
Se 0.750 0.268 0.813
Se 0.250 0.768 0.687
Se 0.250 0.732 0.187 |
Below is a description of a material. | The chemical formula is: IrN2.
The XRD pattern shows main peaks at: 31.9°(1.0), 37.0°(0.71), 53.3°(0.48), 63.4°(0.47), 66.6°(0.15), 78.7°(0.07), 87.4°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-152260 | 4.86 4.86 4.86
90 90 90
Ir 0.000 0.000 0.000
Ir 0.500 0.000 0.500
Ir 0.000 0.500 0.500
Ir 0.500 0.500 0.000
N 0.583 0.583 0.417
N 0.917 0.417 0.917
N 0.417 0.083 0.083
N 0.083 0.917 0.583
N 0.417 0.417 0.583
N 0.083 0.583 0.083
N 0.583 0.917 0.917
N 0.917 0.083 0.417 |
Below is a description of a material. | The chemical formula is: PmDyCu2.
The XRD pattern shows main peaks at: 25.4°(0.17), 36.3°(1.0), 44.8°(0.05), 52.2°(0.16), 59.0°(0.07), 65.3°(0.33), 77.0°(0.11), 88.2°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37793 | 4.95 4.95 4.95
60 60 60
Pm 0.750 0.750 0.750
Dy 0.250 0.250 0.250
Cu 0.500 0.500 0.500
Cu 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PrCo12B6.
The XRD pattern shows main peaks at: 24.8°(0.08), 31.3°(0.13), 32.5°(0.39), 32.9°(0.31), 41.1°(0.6), 41.6°(1.0), 46.9°(0.23), 49.7°(0.24), 51.0°(0.09), 53.6°(0.09), 58.7°(0.23), 62.0°(0.18), 64.3°(0.12), 76.6°(0.08), 77.8°(0.08), 86.1°(0.09).
Generate atomic structure description with... | JVASP-62634 | 5.99 5.99 5.99
104 104 104
Pr 0.000 0.000 0.000
Co 0.458 0.458 0.187
Co 0.458 0.187 0.458
Co 0.542 0.542 0.813
Co 0.813 0.542 0.542
Co 0.542 0.813 0.542
Co 0.867 0.500 0.133
Co 0.133 0.867 0.500
Co 0.187 0.458 0.458
Co 0.500 0.133 0.867
Co 0.867 0.133 0.500
Co 0.500 0.867 0.133
Co 0.133 0.500 0.867
B 0.671 0.231 0.231
... |
Below is a description of a material. | The chemical formula is: Ca3Fe2Cl2O5.
The XRD pattern shows main peaks at: 7.7°(0.52), 15.4°(0.18), 23.6°(0.12), 30.4°(0.09), 33.1°(0.62), 36.1°(1.0), 39.2°(0.06), 47.6°(0.46), 61.1°(0.4), 69.5°(0.12), 79.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56626 | 3.82 3.82 11.80
99 99 90
Ca 0.347 0.347 0.694
Ca 0.653 0.653 0.306
Ca 0.500 0.500 0.000
Fe 0.082 0.082 0.164
Fe 0.918 0.918 0.836
Cl 0.204 0.204 0.407
Cl 0.796 0.796 0.593
O 0.410 0.910 0.821
O 0.910 0.410 0.821
O 0.590 0.090 0.179
O 0.090 0.590 0.179
O 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: LiMgSiPt.
The XRD pattern shows main peaks at: 25.2°(1.0), 29.1°(0.31), 41.7°(0.75), 49.3°(0.54), 51.6°(0.09), 60.4°(0.13), 68.4°(0.06), 76.1°(0.24), 81.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193170 | 4.34 4.34 4.34
60 60 60
Si -0.000 0.000 -0.000
Mg 0.500 0.500 0.500
Pt 0.250 0.250 0.250
Li 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Be2HgCl.
The XRD pattern shows main peaks at: 11.6°(1.0), 23.2°(0.21), 29.1°(0.21), 31.4°(0.66), 35.2°(0.14), 37.5°(0.41), 41.6°(0.19), 43.3°(0.2), 46.2°(0.15), 48.2°(0.13), 55.5°(0.14), 56.7°(0.1), 61.6°(0.07), 64.9°(0.07), 68.4°(0.08), 69.5°(0.14), 71.7°(0.07), 73.2°(0.12), 79.2°(0.07), 87.4°... | JVASP-71187 | 3.07 3.07 7.66
90 90 90
Be 0.000 0.000 0.205
Be 0.500 0.500 0.076
Hg 0.500 0.500 0.765
Cl 0.000 0.000 0.455 |
Below is a description of a material. | The chemical formula is: PmInRh2.
The XRD pattern shows main peaks at: 37.8°(1.0), 54.5°(0.18), 68.2°(0.36), 80.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42137 | 4.76 4.76 4.76
60 60 60
Pm 0.750 0.750 0.750
In 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: CoBiO2.
The XRD pattern shows main peaks at: 15.6°(0.37), 29.3°(0.23), 31.6°(0.31), 33.4°(1.0), 41.9°(0.37), 43.6°(0.25), 45.0°(0.13), 53.4°(0.26), 57.4°(0.2), 60.8°(0.13), 63.2°(0.06), 65.8°(0.08), 70.2°(0.11), 71.2°(0.23), 73.8°(0.06), 77.8°(0.1), 81.3°(0.08), 88.5°(0.14).
Generate atomic str... | JVASP-180368 | 3.05 3.05 5.66
90 90 90
Co 0.500 0.500 0.539
Bi 0.000 -0.000 0.092
O 0.000 0.000 0.518
O 0.500 0.500 0.861 |
Below is a description of a material. | The chemical formula is: BaV2S2.
The XRD pattern shows main peaks at: 24.8°(0.38), 26.2°(0.31), 31.1°(1.0), 34.1°(0.09), 36.6°(0.89), 41.1°(0.31), 48.9°(0.32), 53.3°(0.4), 53.9°(0.11), 55.6°(0.09), 56.3°(0.13), 59.1°(0.3), 65.8°(0.14), 66.8°(0.05), 71.7°(0.1), 75.8°(0.15), 77.8°(0.05), 80.2°(0.06), 83.3°(0.15).
Generat... | JVASP-182552 | 7.29 7.29 7.29
150 150 42
Ba 0.000 0.000 -0.000
V 0.750 0.250 0.500
V 0.250 0.750 0.500
S 0.638 0.638 -0.000
S 0.362 0.362 0.000 |
Below is a description of a material. | The chemical formula is: RbLaTa2O7.
The XRD pattern shows main peaks at: 7.9°(0.55), 22.8°(0.11), 23.8°(0.09), 27.9°(1.0), 31.9°(0.07), 32.5°(0.43), 33.2°(0.19), 40.2°(0.08), 46.2°(0.14), 46.6°(0.3), 52.6°(0.13), 55.2°(0.31), 57.6°(0.06), 58.4°(0.08), 63.2°(0.08), 68.1°(0.13), 75.1°(0.06), 77.5°(0.07), 86.2°(0.05).
Gen... | JVASP-150955 | 3.90 3.90 11.23
90 90 90
Rb 0.500 0.500 0.500
La 0.500 0.500 0.000
Ta 0.000 0.000 0.204
Ta 0.000 0.000 0.796
O 0.000 0.000 0.000
O 0.000 0.500 0.166
O 0.500 0.000 0.166
O 0.000 0.500 0.834
O 0.500 0.000 0.834
O 0.000 0.000 0.365
O 0.000 0.000 0.635 |
Below is a description of a material. | The chemical formula is: Y2MgCd.
The XRD pattern shows main peaks at: 14.2°(0.25), 20.4°(0.12), 27.0°(0.1), 30.8°(0.52), 31.4°(1.0), 35.2°(0.35), 36.5°(0.33), 37.8°(0.59), 50.5°(0.23), 52.4°(0.11), 56.5°(0.18), 59.4°(0.07), 62.0°(0.13), 62.5°(0.12), 64.7°(0.11), 65.5°(0.11), 83.2°(0.05), 84.9°(0.05).
Generate atomic st... | JVASP-80626 | 13.12 9.07 9.07
22 19 19
Y 0.762 0.992 0.992
Y 0.238 0.008 0.008
Mg 0.000 -0.000 -0.000
Cd 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Sc7C2Cl10.
The XRD pattern shows main peaks at: 7.6°(0.14), 9.6°(0.28), 11.2°(0.1), 13.3°(0.3), 16.6°(0.11), 22.0°(0.14), 29.8°(0.3), 30.5°(0.12), 34.0°(0.32), 34.5°(1.0), 35.4°(0.13), 35.9°(0.22), 36.9°(0.26), 38.8°(0.37), 39.2°(0.43), 41.1°(0.15), 51.2°(0.45), 52.3°(0.27), 53.5°(0.12), 67.0°(... | JVASP-29256 | 3.50 9.50 11.80
99 90 100
Sc 0.000 0.000 0.000
Sc 0.654 0.307 0.731
Sc 0.701 0.402 0.275
Sc 0.299 0.598 0.725
Sc 0.819 0.639 0.494
Sc 0.181 0.361 0.506
Sc 0.346 0.693 0.269
C 0.738 0.477 0.625
C 0.262 0.523 0.375
Cl 0.071 0.142 0.623
Cl 0.876 0.751 0.871
Cl 0.404 0.808 0.619
Cl 0.124 0.249 0.129
Cl 0.788 0.576 0.125
Cl... |
Below is a description of a material. | The chemical formula is: FeCl2O.
The XRD pattern shows main peaks at: 15.7°(0.91), 27.1°(0.88), 35.7°(1.0), 40.6°(0.21), 48.4°(0.3), 49.7°(0.46), 53.2°(0.16), 54.2°(0.15), 55.8°(0.05), 61.6°(0.15), 63.7°(0.1), 65.7°(0.28), 74.7°(0.14), 75.5°(0.05), 79.4°(0.09), 88.4°(0.09).
Generate atomic structure description with la... | JVASP-180461 | 6.14 6.14 6.14
148 147 46
Fe 0.000 0.000 0.000
Cl 0.861 0.361 0.500
Cl 0.139 0.639 0.500
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: AgHgSBr.
The XRD pattern shows main peaks at: 9.0°(0.19), 21.1°(0.28), 23.1°(0.75), 27.3°(0.25), 28.3°(0.28), 29.7°(0.38), 32.5°(1.0), 34.8°(0.19), 36.7°(0.29), 37.9°(0.13), 38.6°(0.38), 39.7°(0.11), 42.8°(0.27), 46.8°(0.13), 49.5°(0.17), 51.5°(0.13), 53.8°(0.11), 54.3°(0.31), 66.1°(0.14), 68.2... | JVASP-57567 | 4.66 9.80 9.49
90 90 90
Ag 0.000 0.207 0.412
Ag 0.000 0.793 0.588
Ag 0.000 0.207 0.088
Ag 0.000 0.793 0.912
Hg 0.500 0.229 0.750
Hg 0.500 0.771 0.250
Hg 0.500 0.500 0.000
Hg 0.500 0.500 0.500
S 0.500 0.253 0.004
S 0.500 0.747 -0.004
S 0.500 0.747 0.504
S 0.500 0.253 0.496
Br 0.000 0.022 0.750
Br 0.000 0.518 0.750
Br 0.... |
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