instruction stringclasses 1
value | input stringlengths 172 433 | id stringlengths 7 12 | output stringlengths 43 458 |
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Below is a description of a material. | The chemical formula is: Y2ZnAg.
The XRD pattern shows main peaks at: 35.3°(1.0), 50.8°(0.17), 63.4°(0.35), 74.7°(0.1), 85.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-101035 | 5.08 5.08 5.08
60 60 60
Y 0.750 0.750 0.750
Y 0.250 0.250 0.250
Zn 0.000 0.000 0.000
Ag 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: BaZnSe2.
The XRD pattern shows main peaks at: 13.1°(0.12), 20.8°(0.06), 24.7°(0.26), 26.3°(0.41), 29.6°(1.0), 33.8°(0.2), 40.1°(0.53), 42.4°(0.38), 45.5°(0.23), 49.7°(0.07), 50.6°(0.29), 55.3°(0.1), 58.7°(0.11), 61.5°(0.12), 63.9°(0.16), 68.1°(0.12), 69.7°(0.16), 75.1°(0.11), 76.0°(0.17), 88.6°... | JVASP-69143 | 4.26 4.26 6.77
90 90 90
Ba 0.500 0.500 0.844
Zn 0.000 0.000 0.320
Se 0.000 0.000 0.964
Se 0.500 0.500 0.372 |
Below is a description of a material. | The chemical formula is: LiCe3.
The XRD pattern shows main peaks at: 18.9°(0.32), 26.8°(0.25), 33.0°(1.0), 38.3°(0.51), 43.1°(0.15), 47.4°(0.12), 55.3°(0.35), 59.0°(0.08), 66.0°(0.41), 69.3°(0.12), 75.8°(0.06), 82.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129090 | 4.70 4.70 4.70
90 90 90
Li 0.000 0.000 0.000
Ce 0.000 0.500 0.500
Ce 0.500 0.000 0.500
Ce 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: ZrB4Ir3.
The XRD pattern shows main peaks at: 23.2°(0.21), 26.9°(0.24), 34.5°(1.0), 35.8°(0.3), 37.1°(0.77), 40.8°(0.3), 44.3°(0.14), 49.5°(0.39), 51.7°(0.17), 54.5°(0.08), 56.3°(0.25), 64.4°(0.1), 66.9°(0.24), 67.8°(0.12), 74.4°(0.22), 76.7°(0.22), 86.3°(0.05).
Generate atomic structure descri... | JVASP-154523 | 7.66 7.66 3.54
90 90 120
Zr 0.667 0.333 0.750
Zr 0.333 0.667 0.250
B 0.447 0.053 0.250
B 0.947 0.394 0.250
B 0.606 0.553 0.250
B 0.553 0.947 0.750
B 0.053 0.606 0.750
B 0.394 0.447 0.750
B 0.000 0.000 0.000
B 0.000 0.000 0.500
Ir 0.333 0.260 0.250
Ir 0.740 0.073 0.250
Ir 0.927 0.667 0.250
Ir 0.667 0.740 0.750
Ir 0.260 ... |
Below is a description of a material. | The chemical formula is: CaBiSb.
The XRD pattern shows main peaks at: 18.8°(0.41), 31.4°(1.0), 32.9°(0.69), 38.1°(0.07), 46.1°(0.34), 51.1°(0.1), 57.7°(0.38), 58.7°(0.13), 62.0°(0.23), 68.9°(0.09), 77.6°(0.16), 81.4°(0.11), 83.6°(0.07), 86.9°(0.07).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-179204 | 5.45 5.45 3.58
90 90 120
Ca 0.333 0.667 0.500
Bi -0.000 -0.000 -0.000
Sb 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: Lu5SbPd2.
The XRD pattern shows main peaks at: 31.8°(0.23), 33.4°(1.0), 36.0°(0.23), 37.6°(0.57), 40.9°(0.09), 51.2°(0.05), 55.5°(0.07), 56.0°(0.08), 58.8°(0.13), 70.3°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-22213 | 7.57 7.57 8.52
116 116 90
Lu 0.203 0.012 0.714
Lu 0.012 0.512 0.714
Lu 0.703 0.203 0.714
Lu 0.988 0.488 0.286
Lu 0.512 0.703 0.714
Lu 0.797 0.988 0.286
Lu 0.488 0.297 0.286
Lu 0.297 0.797 0.286
Lu 0.500 0.500 0.000
Lu 0.000 0.000 0.000
Sb 0.250 0.250 0.500
Sb 0.750 0.750 0.500
Pd 0.361 0.861 0.000
Pd 0.139 0.361 0.000
... |
Below is a description of a material. | The chemical formula is: BiClO.
The XRD pattern shows main peaks at: 12.0°(0.47), 24.0°(0.14), 25.7°(1.0), 32.2°(0.61), 33.3°(0.91), 34.5°(0.07), 36.4°(0.11), 40.6°(0.27), 46.2°(0.29), 49.4°(0.28), 52.8°(0.08), 53.6°(0.29), 54.8°(0.24), 58.1°(0.38), 60.2°(0.14), 67.5°(0.11), 74.5°(0.2), 76.7°(0.11), 77.3°(0.09), 88.0°(... | JVASP-3534 | 3.93 3.93 7.40
90 90 90
Bi 0.000 0.500 0.828
Bi 0.500 0.000 0.172
Cl 0.500 0.000 0.647
Cl 0.000 0.500 0.353
O 0.000 0.000 0.000
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: NiSnF.
The XRD pattern shows main peaks at: 23.5°(0.79), 30.9°(0.47), 39.2°(0.84), 41.3°(1.0), 48.1°(0.13), 52.5°(0.69), 58.3°(0.26), 64.5°(0.08), 69.6°(0.09), 73.9°(0.25), 75.3°(0.15), 79.5°(0.29), 83.6°(0.18), 89.8°(0.11).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-179980 | 4.37 4.37 2.89
90 90 120
Ni 0.333 0.667 0.500
Sn 0.667 0.333 0.500
F -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: ZrSiTe.
The XRD pattern shows main peaks at: 9.0°(0.08), 18.0°(0.29), 27.1°(0.11), 30.1°(1.0), 34.1°(0.51), 35.3°(0.17), 36.5°(0.34), 38.8°(0.44), 44.1°(0.23), 49.0°(0.31), 52.5°(0.28), 56.9°(0.05), 58.6°(0.29), 62.6°(0.14), 68.0°(0.14), 71.8°(0.09), 74.7°(0.15), 79.8°(0.06), 82.0°(0.08), 84.8°... | JVASP-17551 | 3.72 3.72 9.87
90 90 90
Zr 0.500 0.000 0.283
Zr 0.000 0.500 0.717
Si 0.000 0.000 0.500
Si 0.500 0.500 0.500
Te 0.000 0.500 0.147
Te 0.500 0.000 0.853 |
Below is a description of a material. | The chemical formula is: YSnO4.
The XRD pattern shows main peaks at: 22.9°(1.0), 32.2°(0.28), 34.5°(0.34), 43.6°(0.27), 46.3°(0.2), 49.8°(0.25), 55.2°(0.25), 58.9°(0.14), 63.3°(0.08), 65.4°(0.14), 72.8°(0.09), 74.2°(0.09), 84.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-115350 | 6.30 6.30 6.30
141 141 55
Y 0.000 0.000 0.000
Sn 0.750 0.250 0.500
O 0.934 0.434 0.500
O 0.218 0.218 -0.000
O 0.782 0.782 -0.000
O 0.566 0.066 0.500 |
Below is a description of a material. | The chemical formula is: Hf2TcNi.
The XRD pattern shows main peaks at: 27.7°(0.16), 39.6°(1.0), 57.3°(0.18), 71.9°(0.36), 85.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-178030 | 4.55 4.55 4.55
60 60 60
Hf -0.000 -0.000 0.000
Hf 0.500 0.500 0.500
Tc 0.750 0.750 0.750
Ni 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: La.
The XRD pattern shows main peaks at: 30.2°(1.0), 43.2°(0.19), 53.6°(0.4), 62.8°(0.11), 71.2°(0.17), 87.1°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-25098 | 3.63 3.63 3.63
109 109 109
La 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ScC.
The XRD pattern shows main peaks at: 30.4°(1.0), 35.2°(0.24), 50.7°(0.43), 60.3°(0.34), 63.3°(0.06), 74.5°(0.06), 82.6°(0.13), 85.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36392 | 3.60 3.60 3.60
60 60 60
Sc 0.000 0.000 0.000
C 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Tl4SiS4.
The XRD pattern shows main peaks at: 14.3°(0.18), 15.2°(0.18), 22.1°(0.28), 24.2°(1.0), 24.7°(0.67), 25.4°(0.86), 26.5°(0.26), 28.0°(0.86), 28.8°(0.29), 29.2°(0.75), 31.3°(0.48), 32.4°(0.51), 33.5°(0.77), 34.6°(0.43), 35.2°(0.68), 41.0°(0.21), 43.7°(0.1), 47.5°(0.21), 50.8°(0.22), 56.5... | JVASP-10250 | 7.59 8.50 8.50
83 73 73
Tl 0.487 0.598 0.373
Tl 0.581 0.993 0.245
Tl 0.081 0.245 0.993
Tl 0.553 0.406 0.982
Tl 0.053 0.982 0.406
Tl 0.577 0.786 0.787
Tl 0.077 0.787 0.786
Tl -0.013 0.373 0.598
Si 0.029 0.619 0.201
Si 0.529 0.201 0.619
S 0.204 0.780 0.087
S 0.352 0.050 0.603
S 0.844 0.721 0.431
S 0.204 0.379 0.248
S 0.7... |
Below is a description of a material. | The chemical formula is: GaB11.
The XRD pattern shows main peaks at: 20.0°(0.18), 20.5°(0.15), 21.9°(1.0), 24.0°(0.37), 25.2°(0.19), 32.0°(0.13), 34.8°(0.38), 35.4°(0.27), 38.8°(0.18), 39.4°(0.16), 40.6°(0.08), 42.0°(0.43), 42.5°(0.1), 44.7°(0.09), 49.1°(0.08), 53.5°(0.08), 56.0°(0.07), 57.3°(0.08), 59.6°(0.08), 63.5°(... | JVASP-125112 | 5.19 5.60 5.19
56 57 56
Ga 0.010 0.617 0.010
B 0.003 0.045 0.637
B 0.637 0.045 0.003
B 0.352 0.984 0.996
B 0.983 0.304 0.983
B 0.996 0.984 0.352
B 0.232 0.649 0.232
B 0.221 0.208 0.627
B 0.627 0.208 0.221
B 0.389 0.799 0.777
B 0.773 0.358 0.773
B 0.777 0.799 0.389 |
Below is a description of a material. | The chemical formula is: Dy2PdPt.
The XRD pattern shows main peaks at: 20.4°(0.09), 28.5°(0.25), 32.3°(0.78), 34.8°(0.53), 36.3°(1.0), 39.8°(0.49), 40.2°(0.73), 42.1°(0.21), 46.8°(0.12), 53.9°(0.29), 55.1°(0.26), 59.3°(0.15), 64.3°(0.15), 67.5°(0.15), 68.0°(0.1), 70.0°(0.27), 72.5°(0.19), 76.9°(0.08), 78.4°(0.16), 79.7... | JVASP-100659 | 4.53 5.55 6.99
90 90 90
Dy 0.000 0.102 0.684
Dy 0.000 0.898 0.184
Dy 0.500 0.390 0.317
Dy 0.500 0.610 0.817
Pd 0.000 0.588 0.543
Pd 0.000 0.412 0.043
Pt 0.500 0.903 0.456
Pt 0.500 0.097 0.956 |
Below is a description of a material. | The chemical formula is: CeCrGe3.
The XRD pattern shows main peaks at: 29.2°(0.19), 31.8°(0.27), 33.8°(0.11), 36.1°(0.2), 37.5°(1.0), 47.1°(0.28), 48.2°(0.12), 54.4°(0.06), 60.4°(0.4), 66.4°(0.06), 69.9°(0.12), 72.5°(0.06), 73.3°(0.1), 87.3°(0.08).
Generate atomic structure description with lattice lengths, angles, coo... | JVASP-97687 | 6.13 6.13 5.63
90 90 120
Ce 0.667 0.333 0.250
Ce 0.333 0.667 0.750
Cr 0.000 0.000 0.500
Cr 0.000 0.000 0.000
Ge 0.191 0.809 0.250
Ge 0.809 0.618 0.750
Ge 0.191 0.382 0.250
Ge 0.809 0.191 0.750
Ge 0.382 0.191 0.750
Ge 0.618 0.809 0.250 |
Below is a description of a material. | The chemical formula is: DyIn7Cu5.
The XRD pattern shows main peaks at: 30.1°(0.13), 31.8°(0.32), 32.6°(0.47), 37.3°(0.43), 38.0°(1.0), 38.4°(0.26), 40.7°(0.07), 42.1°(0.43), 42.9°(0.12), 57.2°(0.09), 60.8°(0.15), 66.5°(0.11), 68.2°(0.16), 68.7°(0.08), 69.2°(0.18).
Generate atomic structure description with lattice len... | JVASP-122208 | 7.23 7.23 7.23
134 98 99
Dy 0.003 0.003 0.000
In 0.657 0.657 -0.000
In 0.339 0.339 -0.000
In 0.321 0.985 0.335
In 0.650 0.985 0.665
In 0.767 0.267 0.500
In 0.827 0.515 0.312
In 0.203 0.515 0.688
Cu 0.490 0.486 0.479
Cu 0.490 0.011 0.004
Cu 0.007 0.486 -0.004
Cu 0.007 0.011 0.521
Cu 0.239 0.739 0.500 |
Below is a description of a material. | The chemical formula is: CdI2.
The XRD pattern shows main peaks at: 25.5°(0.08), 26.3°(0.1), 42.2°(1.0), 77.1°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-29645 | 4.29 4.29 41.27
90 90 120
Cd 0.333 0.667 0.708
Cd 0.667 0.333 0.042
Cd 0.333 0.667 0.875
Cd 0.333 0.667 0.208
Cd 0.333 0.667 0.542
Cd 0.333 0.667 0.375
I 0.000 0.000 0.833
I 0.667 0.333 0.250
I 0.667 0.333 0.584
I 0.000 0.000 -0.000
I 0.667 0.333 0.417
I 0.000 0.000 0.666
I 0.000 0.000 0.333
I 0.000 0.000 0.500
I 0.000... |
Below is a description of a material. | The chemical formula is: TmAgGe.
The XRD pattern shows main peaks at: 29.1°(0.09), 33.2°(1.0), 36.4°(0.84), 38.8°(0.44), 43.6°(0.26), 44.2°(0.2), 44.7°(0.11), 53.8°(0.14), 58.5°(0.21), 59.8°(0.24), 63.9°(0.12), 70.5°(0.21), 71.7°(0.11), 73.5°(0.1), 75.4°(0.09).
Generate atomic structure description with lattice lengths... | JVASP-169414 | 4.15 7.10 7.10
120 90 90
Tm 0.500 0.585 -0.000
Tm 0.500 0.415 0.415
Tm 0.500 1.000 0.585
Ag -0.000 0.253 -0.000
Ag 0.000 0.747 0.747
Ag -0.000 -0.000 0.253
Ge 0.000 0.333 0.667
Ge 0.000 0.667 0.333
Ge 0.500 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbSbF.
The XRD pattern shows main peaks at: 18.2°(0.59), 29.1°(0.4), 31.8°(1.0), 34.6°(0.23), 36.9°(0.1), 43.7°(0.75), 47.7°(0.1), 49.5°(0.09), 56.6°(0.16), 58.4°(0.1), 65.0°(0.21), 66.4°(0.1), 69.9°(0.19), 74.1°(0.15), 87.5°(0.1).
Generate atomic structure description with lattice lengths, ang... | JVASP-138936 | 5.63 5.63 3.07
90 90 120
Rb 0.333 0.667 0.000
Sb 0.667 0.333 0.000
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PmZn3.
The XRD pattern shows main peaks at: 25.7°(0.21), 27.7°(0.1), 32.1°(0.27), 38.2°(1.0), 40.8°(0.18), 42.9°(0.08), 52.9°(0.13), 57.2°(0.17), 60.7°(0.05), 63.8°(0.06), 70.9°(0.12), 72.6°(0.27).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42006 | 6.44 6.44 4.42
90 90 120
Pm 0.333 0.667 0.250
Pm 0.667 0.333 0.750
Zn 0.708 0.854 0.750
Zn 0.146 0.292 0.750
Zn 0.146 0.854 0.750
Zn 0.292 0.146 0.250
Zn 0.854 0.708 0.250
Zn 0.854 0.146 0.250 |
Below is a description of a material. | The chemical formula is: UCoNiGe2.
The XRD pattern shows main peaks at: 23.7°(0.19), 30.7°(0.18), 36.5°(1.0), 44.0°(0.33), 50.6°(0.05), 54.5°(0.13), 58.4°(0.22), 64.0°(0.1), 72.5°(0.13), 75.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-108918 | 4.12 4.12 9.23
90 90 90
U 0.000 0.500 0.236
U 0.500 0.000 0.764
Co 0.500 0.500 0.000
Co 0.000 0.000 0.000
Ni 0.000 0.500 0.623
Ni 0.500 0.000 0.377
Ge 0.000 0.500 0.870
Ge 0.500 0.000 0.130
Ge 0.500 0.500 0.500
Ge 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: YCd2Au.
The XRD pattern shows main peaks at: 22.0°(0.1), 36.3°(1.0), 42.8°(0.06), 52.2°(0.17), 65.3°(0.32), 77.0°(0.11), 88.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183544 | 4.95 4.95 4.95
60 60 60
Y 0.000 -0.000 0.000
Cd 0.750 0.750 0.750
Cd 0.250 0.250 0.250
Au 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LaMnO3.
The XRD pattern shows main peaks at: 22.9°(0.15), 32.6°(1.0), 40.2°(0.2), 46.8°(0.3), 52.7°(0.08), 58.2°(0.34), 68.3°(0.19), 77.7°(0.16), 82.3°(0.07), 86.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-92598 | 3.89 3.89 3.89
90 90 90
La 0.000 0.000 0.000
Mn 0.500 0.500 0.500
O 0.000 0.500 0.500
O 0.500 0.500 0.000
O 0.500 0.000 0.500 |
Below is a description of a material. | The chemical formula is: BaBi2Cl.
The XRD pattern shows main peaks at: 11.3°(0.54), 22.8°(0.25), 24.0°(0.17), 30.1°(0.84), 31.2°(1.0), 32.2°(0.21), 38.0°(0.29), 40.7°(0.14), 43.0°(0.31), 44.6°(0.08), 49.2°(0.14), 51.6°(0.32), 54.1°(0.45), 60.8°(0.09), 62.5°(0.11), 69.4°(0.27), 70.9°(0.16), 71.5°(0.1), 85.2°(0.08), 87.3... | JVASP-65764 | 4.20 4.20 7.82
90 90 90
Ba 0.500 0.500 0.703
Bi 0.000 0.000 0.041
Bi 0.500 0.500 0.199
Cl 0.000 0.000 0.557 |
Below is a description of a material. | The chemical formula is: NpAs2.
The XRD pattern shows main peaks at: 21.9°(0.25), 24.9°(0.93), 31.8°(0.52), 33.2°(0.34), 33.7°(0.51), 39.0°(1.0), 40.4°(0.45), 45.6°(0.54), 46.6°(0.12), 50.6°(0.1), 51.1°(0.11), 52.7°(0.25), 57.5°(0.29), 61.8°(0.1), 62.5°(0.28), 66.5°(0.27), 70.4°(0.09), 75.6°(0.08), 76.3°(0.13), 79.8°(0... | JVASP-17534 | 3.98 3.98 8.10
90 90 90
Np 0.500 0.000 0.715
Np 0.000 0.500 0.285
As 0.500 0.000 0.358
As 0.000 0.500 0.642
As 0.000 0.000 0.000
As 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TaCuO3.
The XRD pattern shows main peaks at: 13.0°(0.29), 13.9°(0.28), 19.0°(0.39), 24.5°(0.11), 27.9°(1.0), 29.6°(0.1), 30.8°(0.09), 32.1°(0.33), 32.4°(0.44), 33.6°(0.39), 37.6°(0.2), 42.4°(0.2), 44.5°(0.11), 51.1°(0.18), 51.5°(0.14), 53.8°(0.13), 55.9°(0.09), 61.5°(0.09), 64.2°(0.15), 64.8°(0... | JVASP-50354 | 6.43 6.43 6.82
89 90 96
Ta 0.253 0.747 0.231
Ta 0.200 0.200 -0.000
Ta 0.800 0.800 -0.000
Ta 0.747 0.253 0.769
Cu 0.225 0.775 0.709
Cu 0.159 0.159 0.500
Cu 0.841 0.841 0.500
Cu 0.775 0.225 0.291
O 0.469 0.208 0.891
O 0.792 0.531 0.891
O 0.260 0.067 0.260
O 0.933 0.740 0.260
O 0.740 0.933 0.740
O 0.321 0.679 0.481
O 0.53... |
Below is a description of a material. | The chemical formula is: SmDyTl2.
The XRD pattern shows main peaks at: 33.3°(1.0), 47.8°(0.17), 59.6°(0.35), 70.0°(0.12), 79.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37241 | 5.38 5.38 5.38
60 60 60
Sm 0.750 0.750 0.750
Dy 0.250 0.250 0.250
Tl 0.000 0.000 0.000
Tl 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: NdTe2.
The XRD pattern shows main peaks at: 21.9°(0.1), 27.9°(0.3), 29.6°(1.0), 34.2°(0.88), 35.5°(0.47), 39.9°(0.66), 49.0°(0.07), 50.3°(0.33), 54.1°(0.15), 54.5°(0.3), 57.7°(0.22), 66.1°(0.25), 68.8°(0.24), 69.3°(0.15), 83.4°(0.09), 86.1°(0.06).
Generate atomic structure description with latt... | JVASP-14952 | 4.52 4.52 9.14
90 90 90
Nd 0.500 0.000 0.728
Nd 0.000 0.500 0.272
Te 0.500 0.000 0.369
Te 0.000 0.500 0.631
Te 0.000 0.000 0.000
Te 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Nb5Si3.
The XRD pattern shows main peaks at: 27.1°(0.3), 28.9°(0.36), 33.7°(0.08), 36.1°(0.48), 36.5°(0.37), 40.0°(1.0), 41.1°(0.5), 41.5°(0.85), 59.8°(0.26), 61.6°(0.12), 64.1°(0.16), 64.6°(0.23), 66.8°(0.24), 71.0°(0.08), 81.6°(0.06), 85.4°(0.11).
Generate atomic structure description with la... | JVASP-56927 | 7.61 7.61 5.31
90 90 120
Nb 0.249 0.249 0.750
Nb 0.751 -0.000 0.750
Nb 0.000 0.249 0.250
Nb 0.333 0.667 0.000
Nb -0.000 0.751 0.750
Nb 0.667 0.333 0.000
Nb 0.249 0.000 0.250
Nb 0.333 0.667 0.500
Nb 0.751 0.751 0.250
Nb 0.667 0.333 0.500
Si 0.393 0.393 0.250
Si -0.000 0.607 0.250
Si 0.000 0.393 0.750
Si 0.607 -0.000 0.2... |
Below is a description of a material. | The chemical formula is: TiV2Os.
The XRD pattern shows main peaks at: 20.6°(0.5), 29.3°(0.2), 36.3°(0.25), 42.1°(1.0), 47.1°(0.13), 52.1°(0.09), 56.6°(0.15), 60.7°(0.16), 61.4°(0.08), 68.9°(0.06), 76.6°(0.29), 77.1°(0.15), 80.8°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-187262 | 3.02 4.31 4.31
90 90 90
Ti 0.500 0.500 0.500
Os 0.500 0.000 -0.000
V -0.000 0.000 0.500
V -0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Pr2Co2I.
The XRD pattern shows main peaks at: 10.0°(0.09), 25.7°(0.16), 26.2°(0.15), 29.9°(0.1), 32.8°(1.0), 36.2°(0.06), 45.3°(0.4), 57.0°(0.18), 75.7°(0.17), 83.7°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-56886 | 4.00 4.00 17.74
90 90 120
Pr 0.000 0.000 0.894
Pr 0.000 0.000 0.606
Pr 0.000 0.000 0.106
Pr 0.000 0.000 0.394
Co 0.333 0.667 1.000
Co 0.667 0.333 0.000
Co 0.333 0.667 0.500
Co 0.667 0.333 0.500
I 0.333 0.667 0.250
I 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: NaSrAs.
The XRD pattern shows main peaks at: 21.4°(0.69), 35.3°(1.0), 41.7°(0.36), 50.8°(0.17), 55.8°(0.14), 63.4°(0.36), 67.8°(0.11), 74.7°(0.11), 78.8°(0.12), 85.5°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-115436 | 5.08 5.08 5.08
60 60 60
Na 0.500 0.500 0.500
Sr 0.000 0.000 0.000
As 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Pr2Sb.
The XRD pattern shows main peaks at: 27.5°(0.13), 29.2°(1.0), 29.8°(0.38), 31.6°(0.33), 34.1°(0.84), 39.2°(0.61), 49.3°(0.12), 50.1°(0.35), 56.7°(0.2), 60.1°(0.07), 65.4°(0.17), 84.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-173457 | 4.59 4.59 9.55
103 103 90
Pr 0.500 0.000 0.000
Pr 0.000 0.500 0.000
Pr 0.680 0.680 0.359
Pr 0.320 0.320 0.641
Sb 0.861 0.861 0.723
Sb 0.139 0.139 0.277 |
Below is a description of a material. | The chemical formula is: InCl2.
The XRD pattern shows main peaks at: 12.6°(1.0), 25.3°(0.63), 26.6°(0.45), 28.3°(0.3), 34.7°(0.52), 37.0°(0.35), 38.3°(0.09), 43.4°(0.53), 46.5°(0.11), 47.7°(0.09), 51.9°(0.14), 52.7°(0.08), 54.8°(0.13), 56.5°(0.08), 58.6°(0.1), 59.3°(0.09), 64.0°(0.15), 73.2°(0.1), 78.8°(0.07), 85.9°(0.... | JVASP-135231 | 7.04 3.81 3.52
90 90 90
In 0.000 0.424 0.000
Cl 0.261 0.924 0.000
Cl 0.739 0.924 0.000 |
Below is a description of a material. | The chemical formula is: ZnBi.
The XRD pattern shows main peaks at: 21.1°(0.16), 27.5°(0.46), 34.9°(1.0), 43.0°(0.12), 48.6°(0.23), 51.8°(0.18), 53.5°(0.09), 56.7°(0.07), 61.2°(0.2), 66.9°(0.17), 73.6°(0.14), 77.8°(0.05), 81.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-126718 | 3.75 3.75 4.21
90 90 120
Zn 0.333 0.667 0.250
Bi 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: YMoN3.
The XRD pattern shows main peaks at: 25.9°(0.09), 27.1°(1.0), 27.8°(0.25), 30.9°(0.49), 32.6°(0.17), 33.1°(0.52), 35.0°(0.11), 36.0°(0.08), 38.5°(0.17), 42.0°(0.08), 48.8°(0.2), 50.4°(0.08), 51.5°(0.15), 55.1°(0.05), 56.4°(0.09), 59.9°(0.08), 60.6°(0.2), 61.9°(0.07), 64.4°(0.05), 70.6°(0... | JVASP-162385 | 6.13 7.14 7.14
98 104 75
Y 0.750 0.913 0.913
Y 0.250 0.688 0.688
Y 0.250 0.087 0.087
Y 0.750 0.312 0.312
Mo 0.755 0.804 0.384
Mo 0.245 0.196 0.616
Mo 0.255 0.616 0.196
Mo 0.745 0.384 0.804
N 0.850 0.225 0.003
N 0.475 0.341 0.618
N 0.525 0.659 0.382
N 0.642 0.625 0.898
N 0.650 0.003 0.225
N 0.150 0.775 -0.003
N 0.142 0.... |
Below is a description of a material. | The chemical formula is: SrTi2O3.
The XRD pattern shows main peaks at: 14.7°(0.17), 23.3°(0.11), 26.2°(0.11), 30.2°(0.68), 31.4°(0.58), 35.3°(1.0), 40.0°(0.35), 45.0°(0.36), 51.7°(0.31), 53.8°(0.18), 55.1°(0.26), 61.7°(0.19), 63.7°(0.18), 65.0°(0.16), 65.6°(0.18), 68.1°(0.06), 72.8°(0.19), 76.6°(0.1), 85.4°(0.08), 88.0... | JVASP-183435 | 6.35 6.35 3.41
90 90 142
Sr -0.000 0.000 0.500
Ti 0.667 0.333 0.000
Ti 0.333 0.667 0.000
O 0.166 0.834 0.000
O 0.834 0.166 0.000
O 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: CuBiTeO.
The XRD pattern shows main peaks at: 28.7°(1.0), 31.2°(0.27), 32.6°(0.16), 35.6°(0.17), 36.4°(0.17), 43.5°(0.06), 44.7°(0.29), 46.9°(0.06), 49.3°(0.24), 54.0°(0.36), 57.4°(0.06), 58.4°(0.09), 65.1°(0.09), 66.8°(0.09), 72.6°(0.07), 73.9°(0.05), 85.7°(0.09), 89.5°(0.09).
Generate atomic ... | JVASP-150073 | 4.05 4.05 9.68
90 90 90
Cu 0.750 0.250 0.500
Cu 0.250 0.750 0.500
Bi 0.250 0.250 0.127
Bi 0.750 0.750 0.873
Te 0.250 0.250 0.680
Te 0.750 0.750 0.320
O 0.750 0.250 0.000
O 0.250 0.750 0.000 |
Below is a description of a material. | The chemical formula is: Li2FeO2.
The XRD pattern shows main peaks at: 15.4°(0.23), 16.5°(1.0), 21.2°(0.21), 31.2°(0.09), 33.5°(0.29), 34.2°(0.09), 35.1°(0.09), 37.3°(0.15), 39.1°(0.49), 44.1°(0.1), 45.9°(0.09), 47.1°(0.16), 48.5°(0.08), 50.0°(0.28), 51.1°(0.06), 53.7°(0.08), 57.5°(0.07), 61.0°(0.07), 63.2°(0.08), 66.1... | JVASP-141598 | 2.94 7.40 8.40
93 89 90
Li -0.000 0.673 -0.006
Li 0.500 0.389 0.227
Li 0.500 0.889 0.727
Li 0.000 0.173 0.494
Li 0.500 0.577 0.756
Li 0.000 0.361 0.023
Li 0.000 0.861 0.523
Li 0.500 0.077 0.256
Fe 0.000 0.018 0.957
Fe 0.500 0.232 0.793
Fe 0.500 0.732 0.293
Fe 0.000 0.518 0.457
O 0.000 0.434 0.815
O 0.500 0.199 0.055
O ... |
Below is a description of a material. | The chemical formula is: Mg3Ga.
The XRD pattern shows main peaks at: 9.2°(0.6), 18.5°(0.11), 32.2°(0.25), 33.6°(0.13), 37.4°(1.0), 43.1°(0.11), 50.2°(0.15), 57.5°(0.15), 70.6°(0.25).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79222 | 3.21 3.21 9.61
90 90 120
Mg 0.667 0.333 0.000
Mg 0.000 0.000 0.733
Mg 0.000 0.000 0.267
Ga 0.667 0.333 0.500 |
Below is a description of a material. | The chemical formula is: NaZrNO.
The XRD pattern shows main peaks at: 12.9°(0.58), 23.7°(1.0), 25.9°(0.27), 27.1°(0.84), 32.8°(0.54), 33.7°(0.69), 39.3°(0.1), 40.1°(0.48), 40.9°(0.26), 46.4°(0.55), 47.1°(0.12), 48.5°(0.25), 49.1°(0.28), 54.7°(0.15), 57.4°(0.12), 59.8°(0.21), 63.0°(0.44), 64.7°(0.19), 68.8°(0.13), 76.7°... | JVASP-159682 | 3.75 4.50 6.88
90 90 90
Na 0.500 0.938 0.146
Na 0.500 0.438 0.854
Zr 0.000 0.438 0.342
Zr -0.000 0.938 0.658
N 0.000 0.939 0.363
N -0.000 0.439 0.637
O 0.500 0.439 0.200
O 0.500 0.939 0.800 |
Below is a description of a material. | The chemical formula is: K2NaScBr6.
The XRD pattern shows main peaks at: 16.3°(0.26), 28.4°(1.0), 32.9°(0.81), 36.9°(0.12), 47.2°(0.51), 56.1°(0.36), 58.8°(0.18), 69.0°(0.08), 78.6°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-100895 | 7.70 7.70 7.70
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Na 0.500 0.500 0.500
Sc 0.000 0.000 0.000
Br 0.758 0.242 0.242
Br 0.242 0.242 0.758
Br 0.242 0.758 0.758
Br 0.242 0.758 0.242
Br 0.758 0.242 0.758
Br 0.758 0.758 0.242 |
Below is a description of a material. | The chemical formula is: Ce4CoSi6Au.
The XRD pattern shows main peaks at: 12.5°(0.14), 21.7°(0.1), 24.6°(0.11), 25.1°(0.21), 30.5°(0.08), 33.0°(1.0), 42.9°(0.13), 44.3°(0.38), 50.4°(0.07), 56.4°(0.21), 63.4°(0.26), 72.4°(0.11), 74.4°(0.06), 89.0°(0.06).
Generate atomic structure description with lattice lengths, angles... | JVASP-142461 | 8.18 8.18 4.21
90 90 120
Ce 0.667 0.333 0.000
Ce 0.683 0.842 0.000
Ce 0.158 0.842 0.000
Ce 0.158 0.317 0.000
Co 0.000 0.000 0.500
Si 0.323 0.161 0.500
Si 0.839 0.161 0.500
Si 0.839 0.677 0.500
Si 0.989 0.494 0.500
Si 0.506 0.011 0.500
Si 0.506 0.494 0.500
Au 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: Ba4SrRe.
The XRD pattern shows main peaks at: 15.5°(0.09), 25.5°(0.27), 30.0°(1.0), 31.3°(0.4), 44.9°(0.12), 47.8°(0.38), 52.3°(0.31), 59.1°(0.05), 61.5°(0.13), 62.3°(0.17), 71.4°(0.06), 73.6°(0.23), 84.9°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates an... | JVASP-64067 | 6.99 6.99 6.99
60 60 60
Ba 0.132 0.623 0.623
Ba 0.623 0.623 0.623
Ba 0.623 0.132 0.623
Ba 0.623 0.623 0.132
Sr 0.000 0.000 0.000
Re 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NClO.
The XRD pattern shows main peaks at: 15.7°(0.07), 29.1°(0.08), 30.2°(1.0), 31.7°(0.27), 32.9°(0.2), 36.8°(0.44), 37.8°(0.21), 46.1°(0.06), 49.3°(0.13), 50.1°(0.21), 52.7°(0.08), 60.4°(0.14), 62.2°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-26910 | 3.94 4.89 11.31
90 90 90
N 0.708 0.250 0.653
N 0.208 0.750 0.847
N 0.292 0.750 0.347
N 0.792 0.250 0.153
Cl 0.515 0.250 0.847
Cl 0.015 0.750 0.653
Cl 0.485 0.750 0.153
Cl -0.015 0.250 0.347
O 0.489 0.250 0.588
O 0.989 0.750 0.912
O 0.511 0.750 0.412
O 0.011 0.250 0.088 |
Below is a description of a material. | The chemical formula is: ScSiPd2.
The XRD pattern shows main peaks at: 28.2°(0.31), 40.4°(1.0), 50.0°(0.09), 58.4°(0.17), 66.1°(0.12), 73.4°(0.34), 87.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-41908 | 4.47 4.47 4.47
60 60 60
Sc 0.250 0.250 0.250
Si 0.750 0.750 0.750
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: PrCd2Cu2.
The XRD pattern shows main peaks at: 30.0°(0.13), 31.1°(0.26), 33.9°(1.0), 43.4°(0.39), 53.7°(0.1), 54.4°(0.1), 55.8°(0.09), 63.3°(0.16), 73.6°(0.2), 79.0°(0.08), 88.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-156135 | 4.17 4.17 6.65
108 108 89
Pr 0.000 0.000 0.000
Cd 0.750 0.250 0.500
Cd 0.250 0.750 0.500
Cu 0.600 0.600 0.200
Cu 0.400 0.400 0.800 |
Below is a description of a material. | The chemical formula is: HoS.
The XRD pattern shows main peaks at: 3.0°(1.0), 6.0°(0.14), 9.0°(0.34), 12.0°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79249 | 3.73 3.73 29.57
90 90 89
Ho 0.999 0.007 0.844
Ho 0.993 0.001 0.156
S 0.497 0.505 0.831
S 0.495 0.503 0.169 |
Below is a description of a material. | The chemical formula is: La2ZnNi.
The XRD pattern shows main peaks at: 24.4°(0.14), 34.7°(1.0), 49.9°(0.17), 56.3°(0.06), 62.3°(0.34), 73.3°(0.11), 83.7°(0.15).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-157117 | 5.17 5.17 5.17
60 60 60
La 0.000 0.000 0.000
La 0.500 0.500 0.500
Zn 0.750 0.750 0.750
Ni 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NaHo3.
The XRD pattern shows main peaks at: 17.9°(0.21), 25.5°(0.2), 31.3°(1.0), 36.3°(0.49), 40.8°(0.12), 44.9°(0.09), 52.3°(0.35), 55.8°(0.06), 62.3°(0.46), 65.4°(0.13), 77.2°(0.06), 85.7°(0.17), 88.4°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-38548 | 4.94 4.94 4.94
90 90 90
Na 0.000 0.000 0.000
Ho 0.000 0.500 0.500
Ho 0.500 0.000 0.500
Ho 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: AlP2.
The XRD pattern shows main peaks at: 19.0°(0.09), 28.3°(0.26), 30.5°(1.0), 42.7°(0.48), 48.8°(0.53), 53.8°(0.39), 58.6°(0.15), 66.8°(0.13), 75.6°(0.13), 79.7°(0.12), 87.0°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-121234 | 6.36 3.73 5.15
68 67 125
Al -0.076 -0.250 0.025
P 0.349 0.749 -0.125
P 0.499 0.750 0.175 |
Below is a description of a material. | The chemical formula is: Bi2Te2O.
The XRD pattern shows main peaks at: 9.1°(0.37), 18.3°(0.12), 25.2°(0.27), 25.8°(0.18), 28.0°(0.15), 29.5°(1.0), 33.2°(0.51), 35.3°(0.43), 37.1°(0.15), 44.1°(0.51), 48.1°(0.36), 54.0°(0.19), 56.3°(0.11), 57.8°(0.11), 59.0°(0.26), 67.3°(0.11), 72.2°(0.17), 74.2°(0.1), 75.5°(0.1), 81.2°(... | JVASP-179795 | 9.97 9.97 9.97
23 23 23
Bi 0.380 0.380 0.380
Bi 0.620 0.620 0.620
Te 0.778 0.778 0.778
Te 0.222 0.222 0.222
O -0.000 -0.000 -0.000 |
Below is a description of a material. | The chemical formula is: InSiPt2.
The XRD pattern shows main peaks at: 16.0°(0.23), 25.1°(0.07), 30.0°(0.52), 32.4°(0.14), 35.8°(0.95), 39.5°(0.12), 41.5°(1.0), 49.1°(0.18), 51.6°(0.38), 60.8°(0.16), 62.6°(0.11), 68.2°(0.48), 73.6°(0.14), 74.3°(0.07), 76.0°(0.12), 79.2°(0.08), 87.0°(0.17).
Generate atomic structure des... | JVASP-180090 | 3.54 3.54 5.52
90 90 90
In 0.500 0.500 0.592
Si 0.000 0.000 0.950
Pt -0.000 -0.000 0.394
Pt 0.500 0.500 0.074 |
Below is a description of a material. | The chemical formula is: BeVFe2.
The XRD pattern shows main peaks at: 28.2°(0.19), 32.6°(0.18), 46.8°(1.0), 55.6°(0.07), 68.4°(0.16), 77.9°(0.05), 87.0°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-80073 | 3.88 3.88 3.88
59 59 59
Be 0.250 0.250 0.250
V 0.750 0.750 0.750
Fe -0.000 -0.000 0.000
Fe 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Tb2NiSb4.
The XRD pattern shows main peaks at: 22.6°(0.17), 28.1°(0.15), 28.7°(0.23), 29.1°(0.12), 30.6°(0.45), 35.0°(1.0), 35.5°(0.49), 38.6°(0.06), 41.6°(0.57), 49.0°(0.06), 51.3°(0.18), 53.4°(0.16), 55.8°(0.26), 58.0°(0.07), 60.3°(0.18), 68.1°(0.08), 69.1°(0.09), 69.9°(0.16), 71.6°(0.25), 86... | JVASP-101450 | 4.34 4.34 9.33
90 90 90
Tb 0.500 0.000 0.233
Tb 0.000 0.500 0.767
Ni 0.500 0.500 0.000
Sb 0.500 0.500 0.500
Sb 0.000 0.000 0.500
Sb 0.500 0.000 0.867
Sb 0.000 0.500 0.133 |
Below is a description of a material. | The chemical formula is: KLi2Sb2.
The XRD pattern shows main peaks at: 20.0°(0.91), 26.2°(1.0), 29.6°(0.78), 30.8°(0.15), 37.4°(0.45), 40.9°(0.33), 42.8°(0.25), 43.2°(0.35), 48.4°(0.38), 49.2°(0.17), 53.9°(0.14), 58.5°(0.28), 60.9°(0.17), 62.7°(0.08), 69.8°(0.15), 70.5°(0.05), 71.5°(0.08), 76.6°(0.09).
Generate atomic ... | JVASP-158236 | 4.81 4.81 6.73
110 110 90
K 0.000 0.000 0.000
Li 0.750 0.250 0.500
Li 0.250 0.750 0.500
Sb 0.621 0.621 0.242
Sb 0.379 0.379 0.758 |
Below is a description of a material. | The chemical formula is: LiYP.
The XRD pattern shows main peaks at: 22.5°(0.51), 26.3°(1.0), 33.8°(0.8), 41.0°(0.39), 41.9°(0.81), 48.5°(0.25), 54.1°(0.17), 56.0°(0.21), 58.2°(0.08), 63.9°(0.12), 66.0°(0.41), 71.1°(0.08), 75.6°(0.06), 81.1°(0.12), 81.5°(0.1), 84.1°(0.13), 85.5°(0.09), 86.1°(0.09).
Generate atomic struc... | JVASP-114336 | 4.76 4.76 4.76
133 133 67
Li 0.544 0.544 -0.000
Y 0.208 0.208 0.000
P 0.853 0.853 -0.000 |
Below is a description of a material. | The chemical formula is: Li2H.
The XRD pattern shows main peaks at: 18.2°(0.15), 37.0°(0.39), 37.7°(1.0), 46.9°(0.46), 61.1°(0.33), 67.1°(0.24), 68.3°(0.07), 80.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-116278 | 5.59 5.58 2.74
119 89 40
Li 0.038 0.548 0.714
Li 0.538 0.523 0.190
H 0.038 0.931 0.098 |
Below is a description of a material. | The chemical formula is: NpNbPO.
The XRD pattern shows main peaks at: 10.1°(0.11), 25.0°(0.53), 30.7°(1.0), 32.4°(0.12), 34.1°(0.49), 38.6°(0.38), 45.3°(0.05), 46.5°(0.29), 47.8°(0.06), 53.6°(0.4), 56.8°(0.48), 57.9°(0.12), 62.0°(0.06), 67.9°(0.09), 76.4°(0.14), 77.3°(0.13), 78.2°(0.09), 81.0°(0.06).
Generate atomic st... | JVASP-159738 | 3.90 3.90 8.72
90 90 90
Np 0.000 0.000 0.142
Np 0.500 0.500 0.858
Nb 0.500 0.000 0.500
Nb 0.000 0.500 0.500
P 0.500 0.500 0.301
P 0.000 0.000 0.699
O 0.500 0.000 0.000
O 0.000 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Sc2GaCo.
The XRD pattern shows main peaks at: 27.6°(0.05), 39.5°(1.0), 57.1°(0.15), 71.6°(0.31), 85.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183913 | 4.57 4.57 4.57
60 60 60
Sc 0.250 0.250 0.250
Sc 0.750 0.750 0.750
Ga 0.500 0.500 0.500
Co 0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ta3Al.
The XRD pattern shows main peaks at: 24.2°(0.31), 34.5°(0.12), 38.7°(1.0), 42.6°(0.26), 61.8°(0.18), 64.6°(0.22), 72.7°(0.09), 85.6°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-155270 | 5.20 5.20 5.20
90 90 90
Ta 0.500 0.250 -0.000
Ta 0.500 0.750 -0.000
Ta -0.000 0.500 0.250
Ta 0.250 0.000 0.500
Ta 0.750 0.000 0.500
Ta 0.000 0.500 0.750
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: HfSiTe.
The XRD pattern shows main peaks at: 19.9°(0.65), 30.1°(0.48), 34.8°(1.0), 36.4°(0.29), 40.4°(0.1), 46.7°(0.92), 51.3°(0.1), 54.4°(0.09), 62.5°(0.2), 63.5°(0.12), 70.9°(0.27), 73.7°(0.26), 81.5°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and a... | JVASP-120249 | 5.15 5.15 2.97
90 90 120
Hf 0.000 0.000 0.000
Si 0.333 0.667 0.000
Te 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: Zr2N2O.
The XRD pattern shows main peaks at: 10.3°(0.13), 20.8°(0.1), 21.5°(0.12), 25.0°(0.07), 26.7°(0.28), 32.2°(0.38), 33.2°(1.0), 33.7°(0.28), 34.5°(0.16), 40.9°(0.25), 41.8°(0.25), 52.6°(0.17), 53.2°(0.12), 55.6°(0.26), 58.1°(0.2), 60.6°(0.15), 63.1°(0.16), 64.4°(0.06), 69.4°(0.1), 70.7°(0... | JVASP-43469 | 3.48 4.33 8.72
100 90 90
Zr 0.750 0.291 0.106
Zr 0.750 0.123 0.671
Zr 0.250 0.878 0.328
Zr 0.250 0.710 0.893
N 0.250 0.330 0.249
N 0.250 0.216 0.902
N 0.750 0.785 0.097
N 0.750 0.671 0.750
O 0.750 0.812 0.437
O 0.250 0.189 0.562 |
Below is a description of a material. | The chemical formula is: CS2.
The XRD pattern shows main peaks at: 10.4°(1.0), 14.8°(0.3), 21.0°(0.24), 23.5°(0.37), 25.8°(0.14), 29.8°(0.06), 31.7°(0.1), 33.5°(0.06), 38.3°(0.08), 39.8°(0.07), 44.1°(0.13), 48.1°(0.07), 49.3°(0.07), 58.7°(0.06).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-117948 | 8.47 4.23 8.47
90 90 90
C 0.001 0.000 0.196
S -0.033 0.000 -0.043
S 0.221 0.000 0.000 |
Below is a description of a material. | The chemical formula is: YAgSe2.
The XRD pattern shows main peaks at: 29.4°(1.0), 31.0°(0.54), 32.1°(0.98), 34.2°(0.15), 34.7°(0.16), 35.7°(0.47), 40.5°(0.16), 42.1°(0.21), 42.8°(0.19), 43.7°(0.18), 44.1°(0.62), 45.3°(0.38), 47.6°(0.11), 48.0°(0.12), 51.4°(0.16), 54.6°(0.19), 55.3°(0.18), 67.4°(0.21), 75.1°(0.13), 78.4... | JVASP-100871 | 5.57 5.77 7.32
114 112 89
Y 0.010 0.001 0.024
Y 0.255 0.766 0.514
Ag 0.486 0.589 0.975
Ag 0.706 0.092 0.417
Se 0.775 0.720 0.554
Se 0.247 0.250 0.497
Se 0.492 0.069 0.989
Se 0.020 0.524 0.044 |
Below is a description of a material. | The chemical formula is: Sr2TaVO6.
The XRD pattern shows main peaks at: 19.3°(0.29), 22.4°(0.06), 31.8°(1.0), 37.6°(0.14), 45.4°(0.14), 45.8°(0.25), 56.8°(0.34), 66.5°(0.15), 75.9°(0.1), 84.4°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-147296 | 5.61 5.61 7.99
90 90 89
Sr 0.000 0.500 0.250
Sr 0.500 -0.000 0.750
Sr 0.500 0.000 0.250
Sr -0.000 0.500 0.750
Ta 0.000 -0.000 -0.000
Ta 0.500 0.500 0.500
V 0.000 -0.000 0.500
V 0.500 0.500 0.000
O 0.220 0.721 0.500
O 0.720 0.221 -0.000
O 0.279 0.220 0.500
O 0.779 0.720 0.000
O 0.221 0.280 -0.000
O 0.500 0.500 0.750
O 0... |
Below is a description of a material. | The chemical formula is: Rb2GaO2.
The XRD pattern shows main peaks at: 29.0°(1.0), 30.7°(0.75), 38.7°(0.14), 44.0°(0.25), 50.2°(0.28), 53.5°(0.38), 60.0°(0.16), 64.2°(0.14), 71.7°(0.08), 72.6°(0.11), 77.3°(0.08), 85.4°(0.11), 88.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-184059 | 7.56 7.56 7.56
148 148 45
Rb 0.335 0.335 0.000
Rb 0.665 0.665 -0.000
Ga -0.000 -0.000 -0.000
O 0.871 0.871 -0.000
O 0.129 0.129 0.000 |
Below is a description of a material. | The chemical formula is: ZrScZn2.
The XRD pattern shows main peaks at: 23.1°(0.07), 38.2°(1.0), 55.2°(0.16), 69.1°(0.33), 81.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-193337 | 4.71 4.71 4.71
59 59 59
Sc 0.250 0.250 0.250
Zn 1.000 0.000 0.000
Zn 0.500 0.500 0.500
Zr 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ThC.
The XRD pattern shows main peaks at: 27.7°(1.0), 39.6°(0.98), 49.1°(0.31), 57.3°(0.18), 64.8°(0.42), 71.9°(0.36), 85.4°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37009 | 3.22 3.22 3.22
90 90 90
Th 0.000 0.000 0.000
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Sc2SnH2.
The XRD pattern shows main peaks at: 17.6°(0.2), 25.5°(0.28), 34.1°(0.57), 36.0°(1.0), 38.6°(0.15), 49.0°(0.2), 51.5°(0.09), 52.4°(0.06), 54.5°(0.07), 62.2°(0.38), 65.9°(0.16), 71.7°(0.06), 76.3°(0.11), 81.9°(0.09), 83.0°(0.09).
Generate atomic structure description with lattice length... | JVASP-188132 | 3.72 3.72 5.69
70 70 90
Sc 0.342 0.342 0.316
Sc 0.658 0.658 0.684
H 0.750 0.250 0.500
H 0.250 0.750 0.500
Sn 0.000 0.000 -0.000 |
Below is a description of a material. | The chemical formula is: LiCrRuIr.
The XRD pattern shows main peaks at: 26.4°(0.2), 30.6°(0.62), 43.8°(1.0), 54.4°(0.17), 63.7°(0.17), 72.3°(0.21), 80.6°(0.31).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189183 | 4.13 4.13 4.13
60 60 60
Ru 0.750 0.750 0.750
Ir 0.250 0.250 0.250
Li 0.000 -0.000 -0.000
Cr 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Li5Si2BiO8.
The XRD pattern shows main peaks at: 13.8°(0.74), 16.5°(1.0), 21.4°(0.94), 21.7°(0.46), 22.8°(0.16), 23.9°(0.24), 26.8°(0.4), 28.0°(0.31), 32.3°(0.38), 32.8°(0.4), 33.3°(0.55), 36.0°(0.24), 36.4°(0.33), 38.0°(0.16), 39.4°(0.23), 40.4°(0.15), 46.5°(0.13), 48.9°(0.19), 58.6°(0.14), 59... | JVASP-40475 | 5.39 5.39 6.41
89 90 87
Li 0.186 0.831 0.530
Li 0.674 0.674 0.750
Li 0.325 0.325 0.750
Li 0.289 0.289 0.250
Li 0.831 0.186 0.970
Si 0.177 0.839 0.986
Si 0.839 0.177 0.514
Bi 0.681 0.681 0.250
O 0.321 0.700 0.796
O 0.254 0.699 0.220
O 0.138 0.209 0.504
O 0.811 0.868 0.534
O 0.209 0.138 0.996
O 0.868 0.811 0.966
O 0.700 ... |
Below is a description of a material. | The chemical formula is: BiH.
The XRD pattern shows main peaks at: 19.3°(0.97), 27.0°(0.85), 33.4°(1.0), 38.6°(0.36), 39.1°(0.15), 43.5°(0.51), 48.2°(0.38), 55.7°(0.11), 56.2°(0.23), 59.6°(0.19), 63.0°(0.17), 66.6°(0.3), 67.3°(0.14), 70.2°(0.13), 74.0°(0.1), 76.8°(0.19), 86.0°(0.08), 86.7°(0.08).
Generate atomic struct... | JVASP-138228 | 3.30 3.30 4.60
90 90 90
Bi 0.000 0.000 0.798
H 0.000 0.000 0.202 |
Below is a description of a material. | The chemical formula is: HoGaAg.
The XRD pattern shows main peaks at: 22.8°(0.19), 32.7°(0.32), 33.9°(0.88), 34.3°(0.96), 37.1°(0.08), 40.0°(1.0), 51.5°(0.13), 53.3°(0.26), 53.8°(0.17), 54.2°(0.09), 57.5°(0.08), 60.7°(0.07), 64.8°(0.13), 66.1°(0.09), 67.1°(0.11), 67.8°(0.11), 68.9°(0.12), 69.4°(0.09), 72.6°(0.14), 73.6... | JVASP-176502 | 4.52 5.78 5.68
94 113 66
Ho 0.756 0.710 0.223
Ho 0.244 0.290 0.777
Ga 0.039 0.120 0.197
Ga 0.961 0.880 0.803
Ag 0.545 0.282 0.372
Ag 0.455 0.718 0.628 |
Below is a description of a material. | The chemical formula is: CdRu.
The XRD pattern shows main peaks at: 36.3°(0.23), 38.2°(0.27), 41.2°(1.0), 53.7°(0.15), 65.2°(0.15), 71.1°(0.19), 78.2°(0.19), 80.1°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-127783 | 2.86 2.86 4.71
90 90 119
Cd 0.333 0.667 0.250
Ru 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: Tb2Fe17.
The XRD pattern shows main peaks at: 30.9°(0.33), 31.9°(0.1), 37.8°(0.31), 38.8°(0.18), 44.1°(1.0), 44.5°(0.24), 80.8°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-85252 | 6.26 6.26 6.26
82 82 82
Tb 0.656 0.656 0.656
Tb 0.344 0.344 0.344
Fe 0.296 0.704 0.000
Fe 0.000 0.500 -0.000
Fe 0.847 0.337 0.337
Fe 0.337 0.847 0.337
Fe 0.663 0.663 0.153
Fe -0.000 0.000 0.500
Fe -0.000 0.296 0.704
Fe 0.337 0.337 0.847
Fe 0.296 0.000 0.704
Fe 0.000 0.704 0.296
Fe 0.704 0.296 -0.000
Fe 0.704 -0.000 0.2... |
Below is a description of a material. | The chemical formula is: YbGaPd2.
The XRD pattern shows main peaks at: 23.7°(0.11), 39.2°(1.0), 46.4°(0.05), 56.7°(0.17), 71.1°(0.35), 84.3°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-39718 | 4.59 4.59 4.59
60 60 60
Yb 0.750 0.750 0.750
Ga 0.250 0.250 0.250
Pd 0.500 0.500 0.500
Pd 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: UPbI6.
The XRD pattern shows main peaks at: 13.5°(0.12), 14.9°(0.16), 18.6°(0.58), 23.4°(0.18), 25.5°(0.05), 26.8°(1.0), 27.9°(0.16), 30.1°(0.2), 34.9°(0.77), 38.5°(0.22), 41.3°(0.5), 49.9°(0.16), 55.2°(0.19), 71.2°(0.17).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-146189 | 7.58 7.58 13.97
90 90 120
U 0.000 0.000 0.500
U 0.000 0.000 0.000
Pb 0.667 0.333 0.750
Pb 0.333 0.667 0.250
I 0.658 0.972 0.622
I 0.342 0.028 0.378
I 0.028 0.686 0.622
I 0.658 0.686 0.878
I 0.972 0.314 0.378
I 0.342 0.314 0.122
I 0.314 0.342 0.622
I 0.028 0.342 0.878
I 0.686 0.658 0.378
I 0.972 0.658 0.122
I 0.314 0.97... |
Below is a description of a material. | The chemical formula is: TaBe2Br.
The XRD pattern shows main peaks at: 15.1°(0.32), 26.9°(1.0), 30.5°(0.38), 31.0°(0.18), 38.4°(0.48), 41.1°(0.75), 49.8°(0.39), 54.5°(0.06), 55.4°(0.16), 62.6°(0.17), 64.6°(0.18), 70.2°(0.14), 71.3°(0.29), 76.7°(0.11), 82.2°(0.05), 89.2°(0.08).
Generate atomic structure description with... | JVASP-68596 | 3.32 3.32 5.86
90 90 90
Ta 0.500 0.500 0.500
Be 0.000 0.000 0.670
Be 0.000 0.000 0.330
Br 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Ba2Te2PdF2.
The XRD pattern shows main peaks at: 10.6°(0.08), 19.0°(0.07), 21.8°(0.11), 26.9°(0.34), 28.6°(1.0), 34.6°(0.31), 38.5°(0.41), 47.7°(0.14), 48.6°(0.46), 51.8°(0.21), 55.5°(0.15), 62.8°(0.17), 63.6°(0.1), 67.1°(0.08), 76.9°(0.13), 79.3°(0.12), 89.4°(0.09).
Generate atomic structure d... | JVASP-155575 | 4.68 4.68 8.35
90 90 90
Ba 0.500 0.000 0.165
Ba 0.000 0.500 0.835
Te 0.000 0.500 0.355
Te 0.500 0.000 0.645
Pd 0.000 0.000 0.500
F 0.000 0.000 0.000
F 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: Li2CuP4O12.
The XRD pattern shows main peaks at: 13.3°(0.58), 15.9°(0.07), 19.1°(0.25), 20.8°(0.2), 22.8°(0.21), 25.7°(0.09), 26.7°(1.0), 28.2°(0.32), 28.6°(0.24), 32.0°(0.24), 32.3°(0.33), 34.0°(0.29), 36.0°(0.14), 40.5°(0.08), 41.2°(0.14), 47.1°(0.07), 50.5°(0.07), 54.9°(0.11), 59.2°(0.08), 6... | JVASP-165646 | 7.17 7.11 5.06
84 113 110
Li 0.727 0.567 0.055
Li 0.273 0.433 0.945
Cu 0.000 -0.000 -0.000
P 0.202 0.792 0.552
P 0.416 0.228 0.560
P 0.584 0.772 0.440
P 0.798 0.208 0.448
O 0.733 0.794 0.757
O 0.440 0.392 0.746
O 0.267 0.206 0.243
O 0.655 0.984 0.297
O 0.345 0.016 0.703
O 0.003 0.808 0.298
O 0.560 0.608 0.254
O 0.835 0... |
Below is a description of a material. | The chemical formula is: ScV.
The XRD pattern shows main peaks at: 35.1°(0.26), 38.2°(0.27), 40.1°(1.0), 52.9°(0.13), 63.0°(0.16), 70.4°(0.16), 76.1°(0.18), 77.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-129636 | 2.95 2.95 4.71
90 90 120
Sc 0.333 0.667 0.250
V 0.667 0.333 0.750 |
Below is a description of a material. | The chemical formula is: ZrBe2Pb.
The XRD pattern shows main peaks at: 15.0°(0.18), 25.2°(1.0), 29.4°(0.21), 30.2°(0.33), 35.9°(0.44), 39.1°(0.09), 39.7°(0.7), 47.6°(0.37), 51.7°(0.16), 58.4°(0.2), 61.1°(0.18), 67.1°(0.28), 68.8°(0.12), 74.5°(0.11), 76.2°(0.05), 84.1°(0.08), 85.6°(0.08), 87.2°(0.07), 89.6°(0.07).
Gener... | JVASP-68314 | 3.53 3.53 5.92
90 90 90
Zr 0.500 0.500 0.500
Be 0.000 0.000 0.678
Be 0.000 0.000 0.322
Pb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: VCrW.
The XRD pattern shows main peaks at: 19.7°(0.21), 31.4°(0.33), 42.5°(1.0), 47.3°(0.1), 59.7°(0.1), 61.7°(0.13), 70.9°(0.07), 77.8°(0.3).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187643 | 3.00 3.00 4.99
107 107 90
Cr 0.281 0.281 0.561
W 0.946 0.946 0.893
V 0.623 0.623 0.246 |
Below is a description of a material. | The chemical formula is: CaMg2.
The XRD pattern shows main peaks at: 11.0°(0.07), 29.0°(0.26), 33.6°(1.0), 51.4°(0.19), 62.8°(0.15), 85.3°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93530 | 3.56 3.56 16.04
90 90 120
Ca 0.667 0.333 0.250
Ca 0.333 0.667 0.750
Mg 0.333 0.667 0.077
Mg 0.333 0.667 0.423
Mg 0.667 0.333 0.577
Mg 0.667 0.333 0.923 |
Below is a description of a material. | The chemical formula is: Ba3In2O5F2.
The XRD pattern shows main peaks at: 7.7°(0.11), 15.4°(0.07), 28.7°(1.0), 29.9°(0.76), 34.5°(0.28), 38.2°(0.09), 39.0°(0.1), 42.8°(0.41), 50.0°(0.08), 52.3°(0.4), 59.3°(0.06), 62.2°(0.12), 65.7°(0.05), 70.5°(0.13).
Generate atomic structure description with lattice lengths, angles, ... | JVASP-12382 | 4.22 4.22 11.92
100 100 90
Ba 0.500 0.500 0.000
Ba 0.677 0.677 0.354
Ba 0.323 0.323 0.646
In 0.909 0.909 0.818
In 0.091 0.091 0.182
O 0.104 0.604 0.207
O 0.604 0.104 0.207
O 0.000 0.000 0.000
O 0.896 0.396 0.793
O 0.396 0.896 0.793
F 0.205 0.205 0.410
F 0.795 0.795 0.590 |
Below is a description of a material. | The chemical formula is: LuTaOs2.
The XRD pattern shows main peaks at: 39.2°(1.0), 56.7°(0.16), 71.1°(0.35), 84.3°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-40014 | 4.59 4.59 4.59
59 60 60
Lu 0.250 0.250 0.250
Ta 0.750 0.750 0.750
Os -0.000 0.000 1.000
Os 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: Cu3Sn.
The XRD pattern shows main peaks at: 24.9°(0.06), 41.3°(1.0), 59.8°(0.16), 75.3°(0.31), 89.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19859 | 4.37 4.37 4.37
60 60 60
Cu 0.000 0.000 0.000
Cu 0.500 0.500 0.500
Cu 0.750 0.750 0.750
Sn 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: RbSrCl3.
The XRD pattern shows main peaks at: 15.8°(0.1), 22.4°(1.0), 27.5°(0.26), 31.9°(0.82), 39.3°(0.48), 45.7°(0.59), 51.4°(0.21), 54.1°(0.08), 56.8°(0.19), 61.8°(0.26), 66.6°(0.09), 71.2°(0.13), 75.7°(0.26), 80.1°(0.06), 84.5°(0.2), 88.8°(0.15).
Generate atomic structure description with l... | JVASP-107502 | 5.62 5.62 5.62
90 90 90
Rb 0.500 0.500 0.500
Sr 0.000 0.000 0.000
Cl 0.500 0.000 0.000
Cl 0.000 0.500 0.000
Cl 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: HfTiN2.
The XRD pattern shows main peaks at: 17.6°(0.72), 33.6°(0.49), 35.2°(0.99), 35.6°(0.32), 41.0°(1.0), 44.9°(0.23), 54.3°(0.13), 59.1°(0.3), 59.6°(0.33), 70.9°(0.27), 71.4°(0.13), 74.4°(0.16), 88.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-187938 | 3.13 3.13 5.36
73 73 60
N 0.748 0.748 0.757
N 0.252 0.252 0.243
Hf 0.500 0.500 0.500
Ti -0.000 -0.000 0.000 |
Below is a description of a material. | The chemical formula is: DyRu2.
The XRD pattern shows main peaks at: 34.2°(0.44), 36.1°(1.0), 39.9°(0.99), 40.5°(0.14), 41.0°(0.79), 44.8°(0.09), 45.3°(0.11), 61.2°(0.08), 62.4°(0.35), 65.0°(0.25), 66.7°(0.33), 71.9°(0.25), 83.2°(0.17), 86.3°(0.09).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-152590 | 5.25 5.25 8.91
90 90 120
Dy 0.333 0.667 0.067
Dy 0.667 0.333 0.567
Dy 0.667 0.333 0.933
Dy 0.333 0.667 0.433
Ru 0.000 0.000 0.000
Ru 0.000 0.000 0.500
Ru 0.829 0.659 0.250
Ru 0.341 0.171 0.250
Ru 0.829 0.171 0.250
Ru 0.171 0.341 0.750
Ru 0.659 0.829 0.750
Ru 0.171 0.829 0.750 |
Below is a description of a material. | The chemical formula is: Cd2I.
The XRD pattern shows main peaks at: 15.7°(0.43), 22.2°(0.32), 22.8°(1.0), 27.8°(0.24), 31.6°(0.45), 32.1°(0.24), 35.5°(0.65), 39.3°(0.52), 42.6°(0.81), 46.6°(0.14), 57.4°(0.16), 58.8°(0.14), 60.0°(0.24), 63.9°(0.22), 71.0°(0.08), 78.2°(0.12), 79.8°(0.11), 81.5°(0.05), 83.7°(0.1), 84.6°(0... | JVASP-134454 | 5.67 3.90 5.65
90 90 90
Cd -0.034 0.000 -0.124
Cd -0.033 0.000 0.391
I 0.467 0.000 0.133 |
Below is a description of a material. | The chemical formula is: Ba3Mn2RuO9.
The XRD pattern shows main peaks at: 24.6°(0.19), 27.7°(0.74), 31.2°(1.0), 34.7°(0.14), 38.5°(0.16), 40.1°(0.19), 42.1°(0.42), 46.6°(0.14), 47.3°(0.09), 50.4°(0.12), 53.3°(0.22), 55.4°(0.2), 57.1°(0.11), 65.0°(0.2).
Generate atomic structure description with lattice lengths, angles,... | JVASP-146699 | 7.80 7.80 7.80
43 43 43
Ba 0.998 0.998 0.998
Ba 0.218 0.218 0.218
Ba 0.782 0.782 0.782
Mn 0.616 0.616 0.616
Mn 0.500 0.500 0.500
Ru 0.383 0.383 0.383
O 0.705 0.262 0.705
O 0.262 0.705 0.705
O 0.705 0.705 0.262
O 0.291 0.751 0.291
O 0.751 0.291 0.291
O 0.291 0.291 0.751
O -0.008 0.502 0.502
O 0.502 0.502 -0.008
O 0.502 ... |
Below is a description of a material. | The chemical formula is: Sb5As.
The XRD pattern shows main peaks at: 23.4°(0.07), 28.7°(1.0), 39.8°(0.36), 42.1°(0.41), 46.7°(0.08), 48.7°(0.06), 51.7°(0.21), 59.3°(0.11), 68.8°(0.17), 75.4°(0.11), 76.9°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124632 | 4.29 4.29 11.41
90 90 120
Sb 0.667 0.333 0.080
Sb 0.667 0.333 0.592
Sb 0.333 0.667 0.386
Sb 0.333 0.667 0.942
Sb 0.000 0.000 0.730
As 0.000 0.000 0.269 |
Below is a description of a material. | The chemical formula is: PtO2.
The XRD pattern shows main peaks at: 27.6°(1.0), 34.0°(0.99), 39.5°(0.28), 53.0°(0.65), 57.0°(0.23), 64.5°(0.35), 68.1°(0.19), 71.5°(0.11), 81.6°(0.15), 84.9°(0.14).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-95048 | 3.23 4.57 4.57
90 90 90
Pt 0.500 0.500 0.500
Pt 0.000 0.000 0.000
O 0.500 0.190 0.810
O 0.500 0.810 0.190
O 0.000 0.310 0.310
O 0.000 0.690 0.690 |
Below is a description of a material. | The chemical formula is: CrCuO2.
The XRD pattern shows main peaks at: 31.3°(0.32), 34.9°(0.11), 36.1°(1.0), 40.6°(0.38), 55.6°(0.32), 61.9°(0.23), 65.2°(0.23), 71.0°(0.15), 73.8°(0.1), 87.9°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-42470 | 5.20 3.00 5.97
90 106 90
Cr 0.500 0.000 0.500
Cr -0.000 0.500 0.500
Cu 0.000 0.000 0.000
Cu 0.500 0.500 -0.000
O 0.108 0.000 0.325
O 0.892 0.000 0.675
O 0.608 0.500 0.325
O 0.392 0.500 0.675 |
Below is a description of a material. | The chemical formula is: Ba6Os2N6O.
The XRD pattern shows main peaks at: 16.2°(0.14), 26.9°(0.39), 27.4°(1.0), 31.0°(0.46), 32.8°(0.68), 34.1°(0.25), 38.4°(0.17), 42.9°(0.14), 44.6°(0.11), 46.9°(0.2), 49.5°(0.22), 54.0°(0.13), 55.3°(0.1), 58.2°(0.12), 59.6°(0.11), 60.5°(0.09), 61.3°(0.12), 67.4°(0.09), 70.4°(0.09), 86.... | JVASP-152979 | 7.43 7.43 7.43
66 66 66
Ba 0.738 0.333 0.183
Ba 0.183 0.738 0.333
Ba 0.333 0.183 0.738
Ba 0.262 0.667 0.817
Ba 0.817 0.262 0.667
Ba 0.667 0.817 0.262
Os 0.250 0.250 0.250
Os 0.750 0.750 0.750
N 0.481 0.244 0.028
N 0.028 0.481 0.244
N 0.244 0.028 0.481
N 0.519 0.756 0.972
N 0.972 0.519 0.756
N 0.756 0.972 0.519
O 0.500 ... |
Below is a description of a material. | The chemical formula is: CeB2Ir2Rh.
The XRD pattern shows main peaks at: 18.7°(0.11), 28.1°(0.22), 34.0°(0.65), 37.9°(1.0), 43.6°(0.4), 47.8°(0.34), 58.1°(0.1), 59.1°(0.26), 66.0°(0.09), 68.5°(0.15), 71.4°(0.3), 75.6°(0.06), 78.6°(0.07), 81.0°(0.08).
Generate atomic structure description with lattice lengths, angles, c... | JVASP-105534 | 5.48 5.48 3.18
90 90 119
Ce 0.500 0.500 0.000
B 0.167 0.833 0.000
B 0.833 0.167 0.000
Ir 0.000 0.500 0.500
Ir 0.500 0.000 0.500
Rh 0.000 0.000 0.500 |
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