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: WO3.
The XRD pattern shows main peaks at: 22.9°(1.0), 23.6°(0.48), 25.8°(0.15), 32.6°(0.21), 33.1°(0.52), 34.7°(0.11), 40.6°(0.15), 46.8°(0.14), 48.3°(0.14), 53.0°(0.15), 54.0°(0.27), 58.5°(0.1), 59.4°(0.09), 60.2°(0.06), 65.2°(0.08), 69.4°(0.12), 74.3°(0.11).
Generate atomic structure descript... | JVASP-110319 | 3.88 3.88 7.55
90 90 90
W 0.554 0.446 0.750
W 0.446 0.554 0.250
O 0.500 0.500 0.500
O 0.500 0.500 0.000
O 0.482 0.017 0.250
O 0.983 0.518 0.250
O 0.518 0.983 0.750
O 0.017 0.482 0.750 |
Below is a description of a material. | The chemical formula is: K3Sm.
The XRD pattern shows main peaks at: 14.8°(0.41), 21.0°(0.37), 25.8°(1.0), 29.9°(0.53), 33.5°(0.22), 36.9°(0.18), 42.8°(0.38), 45.6°(0.13), 48.2°(0.09), 50.7°(0.46), 53.1°(0.13), 55.5°(0.06), 57.8°(0.1), 64.3°(0.08), 68.5°(0.17), 70.5°(0.16), 72.5°(0.06), 78.4°(0.11), 82.3°(0.06), 84.2°(0... | JVASP-125889 | 5.97 5.97 5.97
90 90 90
K 0.000 0.500 0.500
K 0.500 0.000 0.500
K 0.500 0.500 0.000
Sm 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: PaPb3.
The XRD pattern shows main peaks at: 32.2°(1.0), 37.3°(0.56), 53.8°(0.39), 64.1°(0.42), 67.3°(0.13), 79.5°(0.07), 88.4°(0.2).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126411 | 4.82 4.82 4.82
90 90 90
Pa 0.000 0.500 0.000
Pb 0.000 0.000 0.500
Pb 0.500 0.500 0.500
Pb 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MgGeAs2.
The XRD pattern shows main peaks at: 16.7°(0.16), 26.3°(1.0), 42.6°(0.23), 44.1°(0.46), 50.8°(0.3), 53.3°(0.14), 61.9°(0.08), 70.5°(0.1), 79.1°(0.14), 82.1°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36582 | 6.00 6.00 7.06
115 115 90
Mg 0.000 0.000 0.000
Mg 0.250 0.750 0.500
Ge 0.750 0.250 0.500
Ge 0.500 0.500 0.000
As 0.125 0.604 0.750
As 0.854 0.875 0.250
As 0.625 0.146 0.750
As 0.396 0.375 0.250 |
Below is a description of a material. | The chemical formula is: Ta2H2Rh.
The XRD pattern shows main peaks at: 27.8°(0.11), 31.3°(0.1), 37.2°(1.0), 42.2°(0.11), 43.7°(0.35), 47.1°(0.05), 52.6°(0.08), 59.5°(0.08), 62.4°(0.16), 63.5°(0.11), 76.0°(0.24), 79.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191616 | 2.93 2.93 6.74
77 77 90
H 0.750 0.250 0.500
H 0.250 0.750 0.500
Rh 0.000 -0.000 0.000
Ta 0.353 0.353 0.293
Ta 0.647 0.647 0.707 |
Below is a description of a material. | The chemical formula is: Tm2TeS2.
The XRD pattern shows main peaks at: 13.4°(0.15), 18.0°(0.89), 26.3°(0.12), 27.5°(0.09), 29.7°(1.0), 30.7°(0.44), 33.9°(0.36), 38.1°(0.12), 38.9°(0.36), 41.1°(0.19), 44.0°(0.19), 45.7°(0.65), 48.0°(0.14), 51.5°(0.09), 54.2°(0.17), 56.7°(0.18), 61.8°(0.12), 67.9°(0.08), 72.3°(0.18).
Gen... | JVASP-102320 | 7.40 7.40 7.40
147 138 53
Tm 0.832 0.332 0.500
Tm 0.168 0.668 0.500
Te 0.000 0.000 0.000
S 0.699 0.699 -0.000
S 0.301 0.301 0.000 |
Below is a description of a material. | The chemical formula is: BaMn2Ge2.
The XRD pattern shows main peaks at: 27.9°(0.06), 30.3°(1.0), 30.9°(0.16), 34.0°(0.37), 41.6°(0.11), 44.3°(0.34), 53.4°(0.33), 54.6°(0.36), 64.5°(0.11), 75.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-5125 | 4.09 4.09 7.02
106 106 90
Ba 0.000 0.000 0.000
Mn 0.250 0.750 0.500
Mn 0.750 0.250 0.500
Ge 0.648 0.648 0.295
Ge 0.352 0.352 0.705 |
Below is a description of a material. | The chemical formula is: MgS.
The XRD pattern shows main peaks at: 25.5°(1.0), 27.6°(0.53), 29.1°(0.56), 37.9°(0.35), 45.0°(0.7), 49.7°(0.63), 52.4°(0.12), 53.5°(0.42), 54.4°(0.09), 69.2°(0.24), 78.8°(0.17), 82.9°(0.11), 86.4°(0.26), 89.5°(0.1).
Generate atomic structure description with lattice lengths, angles, coordi... | JVASP-103280 | 4.03 4.03 6.47
90 90 120
Mg 0.333 0.667 0.997
Mg 0.667 0.333 0.497
S 0.667 0.333 0.878
S 0.333 0.667 0.378 |
Below is a description of a material. | The chemical formula is: ErCuPb.
The XRD pattern shows main peaks at: 25.5°(0.28), 33.5°(1.0), 39.2°(0.72), 43.9°(0.08), 47.4°(0.06), 50.5°(0.11), 52.5°(0.28), 63.1°(0.06), 65.7°(0.31), 67.4°(0.28), 71.0°(0.12), 84.3°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-93899 | 4.60 4.60 7.23
90 90 120
Er 0.000 0.000 0.500
Er 0.000 0.000 0.000
Cu 0.667 0.333 0.750
Cu 0.333 0.667 0.250
Pb 0.667 0.333 0.250
Pb 0.333 0.667 0.750 |
Below is a description of a material. | The chemical formula is: VMo2HPt.
The XRD pattern shows main peaks at: 22.5°(0.21), 31.9°(0.19), 39.4°(1.0), 45.6°(0.15), 45.9°(0.33), 51.4°(0.05), 57.0°(0.08), 66.7°(0.21), 80.0°(0.12), 80.5°(0.23), 84.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-187530 | 3.95 3.95 3.98
90 90 90
H 0.000 -0.000 -0.000
Mo 0.000 0.500 0.000
Mo 0.500 -0.000 -0.000
Pt 0.500 0.500 0.500
V 0.000 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: CrRh3.
The XRD pattern shows main peaks at: 23.6°(0.07), 33.6°(0.06), 41.4°(1.0), 48.2°(0.5), 70.6°(0.32), 85.3°(0.38).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-126555 | 3.77 3.77 3.77
90 90 90
Cr 0.000 0.500 0.000
Rh 0.000 0.000 0.500
Rh 0.500 0.500 0.500
Rh 0.500 0.000 0.000 |
Below is a description of a material. | The chemical formula is: RbSn2Rh.
The XRD pattern shows main peaks at: 13.0°(1.0), 17.4°(0.14), 28.3°(0.78), 28.7°(0.6), 30.7°(0.37), 31.7°(0.78), 35.3°(0.25), 36.9°(0.51), 37.6°(0.15), 41.4°(0.61), 45.8°(0.52), 46.5°(0.18), 50.9°(0.21), 53.4°(0.14), 55.3°(0.15), 63.8°(0.14), 66.9°(0.16), 80.8°(0.13), 81.7°(0.18), 83.2... | JVASP-156158 | 7.67 7.15 7.15
35 90 90
Rb 0.000 0.041 0.041
Rb 0.500 0.959 0.959
Sn 0.202 0.328 0.328
Sn 0.798 0.328 0.328
Sn 0.298 0.672 0.672
Sn 0.702 0.672 0.672
Rh 0.500 0.218 0.218
Rh 0.000 0.782 0.782 |
Below is a description of a material. | The chemical formula is: Ce2Si5Ir3.
The XRD pattern shows main peaks at: 23.5°(0.1), 24.7°(0.53), 27.7°(0.28), 30.1°(0.21), 30.9°(0.17), 32.4°(0.43), 33.9°(0.08), 34.4°(1.0), 35.1°(0.39), 35.8°(0.34), 43.7°(0.71), 47.2°(0.24), 48.0°(0.1), 50.5°(0.2), 56.3°(0.25), 57.3°(0.2), 62.6°(0.13), 63.8°(0.09), 64.4°(0.08).
Gener... | JVASP-171125 | 5.94 8.22 8.22
75 68 68
Ce 0.369 0.400 0.861
Ce 0.631 0.600 0.139
Ce 0.869 0.861 0.400
Ce 0.131 0.139 0.600
Si 0.250 0.500 0.500
Si 0.750 0.500 0.500
Si 0.022 0.228 0.228
Si 0.478 0.772 0.772
Si 0.978 0.772 0.772
Si 0.522 0.228 0.228
Si 0.108 0.740 0.045
Si 0.892 0.260 0.955
Si 0.608 0.045 0.740
Si 0.392 0.955 0.260
Ir... |
Below is a description of a material. | The chemical formula is: Ho2MnOs.
The XRD pattern shows main peaks at: 22.4°(0.11), 37.1°(1.0), 43.8°(0.07), 53.4°(0.18), 66.8°(0.38), 78.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37789 | 4.85 4.85 4.85
59 59 59
Ho -0.000 0.000 1.000
Ho 0.500 0.500 0.500
Mn 0.250 0.250 0.250
Os 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: Ta2BN.
The XRD pattern shows main peaks at: 16.2°(0.05), 32.6°(0.47), 33.2°(1.0), 34.6°(0.32), 39.6°(0.39), 43.0°(0.82), 51.3°(0.25), 58.5°(0.38), 66.3°(0.16), 68.6°(0.36), 71.9°(0.16), 75.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161611 | 3.15 3.15 5.78
90 105 59
Ta 0.803 0.338 0.307
Ta 0.162 0.159 0.844
B 0.647 0.917 0.572
N 0.991 0.745 0.088 |
Below is a description of a material. | The chemical formula is: Nd4Mg3Co2.
The XRD pattern shows main peaks at: 11.3°(0.38), 13.7°(0.52), 22.7°(0.45), 23.3°(0.45), 23.6°(0.49), 30.8°(0.37), 32.3°(0.3), 32.7°(0.86), 33.4°(1.0), 34.3°(0.14), 35.1°(0.26), 36.3°(0.26), 37.9°(0.22), 38.9°(0.57), 40.2°(0.33), 47.6°(0.29), 49.3°(0.14), 56.8°(0.21), 57.7°(0.14), 61... | JVASP-56778 | 7.60 3.82 8.32
90 109 90
Nd 0.603 0.500 0.819
Nd 0.904 0.500 0.276
Nd 0.096 0.500 0.724
Nd 0.397 0.500 0.181
Mg 0.705 0.000 0.497
Mg 0.295 0.000 0.503
Mg 0.000 0.000 0.000
Co 0.350 0.000 0.894
Co 0.650 0.000 0.106 |
Below is a description of a material. | The chemical formula is: CePmTl2.
The XRD pattern shows main peaks at: 32.8°(1.0), 47.0°(0.18), 58.5°(0.39), 68.7°(0.12), 78.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79124 | 5.46 5.46 5.46
60 60 60
Ce 0.250 0.250 0.250
Pm 0.750 0.750 0.750
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: RbMnBr.
The XRD pattern shows main peaks at: 20.5°(0.09), 25.3°(1.0), 31.0°(0.26), 32.8°(0.1), 36.0°(0.43), 40.4°(0.49), 41.8°(0.06), 48.2°(0.28), 51.8°(0.13), 58.5°(0.19), 59.5°(0.08), 61.6°(0.13), 65.6°(0.06), 67.7°(0.2), 82.8°(0.07), 84.7°(0.05), 87.5°(0.06).
Generate atomic structure descri... | JVASP-138315 | 3.53 3.53 8.66
90 90 90
Rb 0.000 0.000 -0.055
Mn 0.000 0.000 0.572
Br 0.000 0.000 0.303 |
Below is a description of a material. | The chemical formula is: ICl2.
The XRD pattern shows main peaks at: 20.0°(0.7), 22.5°(0.88), 30.3°(0.52), 35.0°(0.85), 40.6°(0.12), 42.0°(1.0), 46.0°(0.13), 46.9°(0.15), 50.6°(0.12), 54.7°(0.09), 59.1°(0.34), 59.9°(0.15), 62.7°(0.14), 67.6°(0.21), 73.9°(0.06), 78.4°(0.15), 81.2°(0.14), 82.4°(0.13).
Generate atomic stru... | JVASP-135136 | 5.13 5.13 3.94
90 90 120
I 0.000 0.000 0.000
Cl 0.333 0.667 0.000
Cl 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: LiFeO3.
The XRD pattern shows main peaks at: 21.7°(1.0), 34.8°(0.52), 37.4°(0.05), 38.7°(0.09), 42.1°(0.07), 43.3°(0.15), 43.7°(0.16), 54.3°(0.15), 55.2°(0.25), 61.3°(0.07), 65.8°(0.1), 66.4°(0.1), 68.4°(0.1), 72.4°(0.06), 74.1°(0.06).
Generate atomic structure description with lattice lengths,... | JVASP-45240 | 4.76 4.81 7.98
90 90 90
Li 0.000 0.000 0.298
Li 0.500 0.000 0.188
Li 0.000 0.500 0.688
Li 0.500 0.500 0.798
Fe 0.000 0.000 0.898
Fe 0.500 0.000 0.588
Fe 0.000 0.500 0.088
Fe 0.500 0.500 0.398
O 0.201 0.178 0.071
O 0.701 0.322 0.571
O 0.799 0.322 0.915
O 0.750 0.349 0.243
O 0.250 0.651 0.243
O 0.701 0.822 0.415
O 0.299 ... |
Below is a description of a material. | The chemical formula is: Al2PbS4.
The XRD pattern shows main peaks at: 17.1°(0.93), 24.1°(1.0), 29.7°(0.26), 30.9°(0.18), 34.3°(0.47), 38.4°(0.46), 38.7°(0.54), 45.9°(0.19), 49.3°(0.17), 49.8°(0.13), 55.6°(0.08), 56.0°(0.07), 58.7°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-119762 | 6.02 6.02 10.50
90 90 120
Al 0.763 0.239 0.500
Al 0.237 0.761 0.500
Al 0.761 0.237 0.000
Al 0.239 0.763 0.000
Pb 0.500 0.500 0.750
Pb 0.500 0.500 0.250
S 0.354 0.181 0.500
S 0.646 0.819 0.500
S 0.819 0.646 0.000
S 0.181 0.354 0.000
S 0.500 -0.000 0.836
S -0.000 0.500 0.664
S 0.500 -0.000 0.164
S -0.000 0.500 0.336 |
Below is a description of a material. | The chemical formula is: Mo.
The XRD pattern shows main peaks at: 38.8°(1.0), 39.9°(0.31), 43.5°(0.27), 48.9°(0.15), 55.9°(0.08), 63.2°(0.06), 64.1°(0.12), 76.7°(0.07), 83.2°(0.07), 86.0°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79601 | 2.98 2.98 9.27
90 90 128
Mo 0.000 0.000 0.500
Mo 0.000 0.000 0.000
Mo 0.736 0.264 0.750
Mo 0.264 0.736 0.250 |
Below is a description of a material. | The chemical formula is: KLiZnO2.
The XRD pattern shows main peaks at: 12.4°(0.13), 16.6°(0.47), 18.9°(0.44), 24.9°(0.23), 28.3°(1.0), 32.6°(0.45), 33.7°(0.55), 36.6°(0.49), 38.1°(0.12), 38.6°(0.54), 41.3°(0.49), 43.7°(0.66), 46.4°(0.11), 51.6°(0.14), 54.8°(0.24), 57.4°(0.26), 65.2°(0.12), 65.9°(0.14), 67.2°(0.3), 69.0... | JVASP-26383 | 3.35 5.67 7.44
76 76 72
K 0.162 0.306 0.369
K 0.838 0.694 0.631
Li 0.659 0.627 0.055
Li 0.341 0.373 0.945
Zn 0.954 0.907 0.185
Zn 0.046 0.093 0.815
O 0.537 0.234 0.692
O 0.463 0.766 0.308
O 0.163 0.736 0.938
O 0.837 0.264 0.062 |
Below is a description of a material. | The chemical formula is: BeV2Zn.
The XRD pattern shows main peaks at: 11.7°(0.41), 35.7°(0.23), 37.4°(0.4), 43.0°(1.0), 48.2°(0.14), 50.9°(0.34), 63.7°(0.15), 72.8°(0.2), 74.9°(0.09), 85.8°(0.06), 86.8°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-190018 | 2.54 2.54 7.55
90 90 90
Be 0.500 0.500 0.000
Zn 0.500 0.500 0.500
V 0.000 0.000 0.780
V -0.000 -0.000 0.220 |
Below is a description of a material. | The chemical formula is: CaAs2Pd2.
The XRD pattern shows main peaks at: 17.3°(0.53), 22.2°(0.21), 33.3°(0.33), 34.0°(1.0), 41.5°(0.75), 45.3°(0.18), 46.0°(0.68), 49.0°(0.14), 60.1°(0.22), 62.0°(0.14), 70.9°(0.24), 73.8°(0.06), 78.9°(0.28), 88.4°(0.16).
Generate atomic structure description with lattice lengths, angles,... | JVASP-15531 | 4.35 4.35 5.99
111 111 90
Ca 0.000 0.000 0.000
As 0.379 0.379 0.758
As 0.621 0.621 0.242
Pd 0.250 0.750 0.500
Pd 0.750 0.250 0.500 |
Below is a description of a material. | The chemical formula is: NiP2.
The XRD pattern shows main peaks at: 22.3°(0.09), 23.3°(0.34), 31.6°(1.0), 33.4°(0.42), 34.6°(0.3), 35.6°(0.21), 36.7°(0.25), 45.4°(0.18), 46.9°(0.07), 47.7°(0.18), 49.1°(0.19), 51.8°(0.34), 52.4°(0.33), 55.7°(0.19), 57.0°(0.15), 57.6°(0.13), 63.0°(0.12), 66.1°(0.24), 68.9°(0.15), 78.1°(0... | JVASP-8072 | 4.30 4.30 5.65
68 68 81
Ni 0.500 0.500 0.500
Ni 0.000 0.000 0.000
P 0.918 0.188 0.334
P 0.312 0.582 0.166
P 0.688 0.418 0.834
P 0.082 0.812 0.666 |
Below is a description of a material. | The chemical formula is: BeB2.
The XRD pattern shows main peaks at: 30.8°(0.43), 47.6°(1.0), 63.6°(0.5), 64.2°(0.16), 72.3°(0.09), 83.2°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-36410 | 2.93 2.93 2.90
90 90 120
Be 0.000 0.000 0.000
B 0.667 0.333 0.500
B 0.333 0.667 0.500 |
Below is a description of a material. | The chemical formula is: LiI2.
The XRD pattern shows main peaks at: 22.8°(0.35), 24.1°(1.0), 24.7°(0.71), 26.9°(0.67), 29.5°(0.26), 31.6°(0.64), 32.2°(0.4), 32.6°(0.34), 35.1°(0.1), 39.6°(0.1), 41.4°(0.19), 44.4°(0.31), 45.6°(0.15), 46.4°(0.13), 47.0°(0.3), 48.3°(0.13), 49.5°(0.42), 52.7°(0.12), 53.3°(0.12), 56.0°(0.11... | JVASP-115190 | 4.25 9.83 3.28
131 112 79
Li 0.031 0.930 -0.166
I 0.692 0.184 0.664
I 0.371 0.676 0.004 |
Below is a description of a material. | The chemical formula is: Ba4NbCo2MoO12.
The XRD pattern shows main peaks at: 31.1°(1.0), 38.3°(0.09), 44.6°(0.3), 55.4°(0.35), 64.9°(0.18), 73.7°(0.1), 82.1°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-166452 | 5.75 8.12 5.75
90 90 90
Ba 0.500 0.250 -0.000
Ba -0.000 0.750 0.500
Ba 0.500 0.750 -0.000
Ba -0.000 0.250 0.500
Nb -0.000 0.500 -0.000
Co -0.000 0.000 -0.000
Co 0.500 0.500 0.500
Mo 0.500 0.000 0.500
O -0.000 0.249 -0.000
O 0.500 0.762 0.500
O 0.249 0.500 0.249
O 0.739 0.000 0.739
O 0.249 0.500 0.751
O 0.739 0.000 0.26... |
Below is a description of a material. | The chemical formula is: Bi3Sb.
The XRD pattern shows main peaks at: 22.3°(0.05), 27.2°(1.0), 37.9°(0.34), 39.8°(0.37), 44.4°(0.07), 45.6°(0.06), 48.8°(0.2), 56.1°(0.12), 59.0°(0.05), 62.0°(0.13), 64.7°(0.18), 70.9°(0.12), 72.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and ... | JVASP-107772 | 8.38 8.38 8.38
31 31 31
Bi 0.117 0.117 0.117
Bi 0.885 0.885 0.885
Bi 0.381 0.381 0.381
Sb 0.617 0.617 0.617 |
Below is a description of a material. | The chemical formula is: NaIn.
The XRD pattern shows main peaks at: 20.7°(0.44), 34.2°(1.0), 40.3°(0.24), 49.2°(0.15), 61.2°(0.32), 72.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-17780 | 5.24 5.24 5.24
60 60 60
Na 0.625 0.625 0.625
Na 0.375 0.375 0.375
In 0.125 0.125 0.125
In 0.875 0.875 0.875 |
Below is a description of a material. | The chemical formula is: ZrBe2Nb.
The XRD pattern shows main peaks at: 25.2°(0.69), 31.1°(0.74), 40.4°(1.0), 44.5°(0.38), 51.8°(0.48), 61.6°(0.22), 64.7°(0.11), 70.6°(0.31), 73.5°(0.12), 79.2°(0.25), 87.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74323 | 2.88 2.88 7.06
90 90 90
Zr 0.500 0.500 0.500
Be 0.000 0.000 0.762
Be 0.000 0.000 0.238
Nb 0.500 0.500 0.000 |
Below is a description of a material. | The chemical formula is: TiInAu2.
The XRD pattern shows main peaks at: 26.8°(0.22), 38.3°(1.0), 47.3°(0.06), 55.2°(0.17), 69.2°(0.36), 81.9°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-54577 | 4.70 4.70 4.70
59 60 59
Ti 0.500 0.500 0.500
In 0.000 1.000 1.000
Au 0.250 0.250 0.250
Au 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: YAlNi4.
The XRD pattern shows main peaks at: 22.3°(0.17), 25.8°(0.1), 36.8°(0.23), 43.5°(1.0), 45.5°(0.44), 53.1°(0.05), 66.3°(0.08), 70.9°(0.26), 78.4°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-183265 | 4.88 4.88 4.88
60 60 60
Y -0.000 -0.000 -0.000
Al 0.750 0.750 0.750
Ni 0.376 0.376 0.871
Ni 0.871 0.376 0.376
Ni 0.376 0.376 0.376
Ni 0.376 0.871 0.376 |
Below is a description of a material. | The chemical formula is: Ti2CoGe.
The XRD pattern shows main peaks at: 41.9°(1.0), 60.8°(0.15), 76.6°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-37053 | 4.31 4.31 4.31
60 60 60
Ti 0.000 0.000 0.000
Ti 0.750 0.750 0.750
Co 0.500 0.500 0.500
Ge 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NdPaO4.
The XRD pattern shows main peaks at: 18.0°(0.07), 28.2°(1.0), 32.5°(0.25), 32.9°(0.12), 46.9°(0.35), 55.4°(0.3), 55.9°(0.16), 58.2°(0.1), 68.1°(0.05), 75.2°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-141211 | 6.69 6.69 6.69
131 131 71
Nd 0.500 0.500 -0.000
Nd 0.250 0.750 0.500
Pa 0.000 0.000 0.000
Pa 0.750 0.250 0.500
O 0.375 0.356 0.481
O 0.875 0.894 0.519
O 0.106 0.125 0.481
O 0.644 0.125 0.019
O 0.875 0.356 0.981
O 0.644 0.625 0.519
O 0.106 0.625 0.981
O 0.375 0.894 0.019 |
Below is a description of a material. | The chemical formula is: PrAgAu2.
The XRD pattern shows main peaks at: 25.1°(0.06), 35.8°(1.0), 51.6°(0.18), 64.4°(0.38), 75.9°(0.11), 86.9°(0.17).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-106583 | 5.01 5.01 5.01
60 60 60
Pr 0.000 0.000 0.000
Ag 0.500 0.500 0.500
Au 0.750 0.750 0.750
Au 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: ScAlAg.
The XRD pattern shows main peaks at: 22.7°(0.55), 27.9°(0.16), 36.3°(1.0), 39.9°(0.64), 46.4°(0.07), 49.4°(0.19), 55.0°(0.28), 57.7°(0.07), 62.8°(0.12), 70.0°(0.25), 72.4°(0.31), 86.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194031 | 4.52 4.52 3.19
90 90 120
Sc 0.667 0.333 0.667
Al 0.333 0.667 0.167
Ag 0.000 0.000 0.167 |
Below is a description of a material. | The chemical formula is: CeSi2Ir2.
The XRD pattern shows main peaks at: 8.9°(0.08), 27.0°(0.32), 27.9°(0.3), 30.3°(0.11), 31.6°(0.78), 34.6°(0.65), 35.4°(1.0), 43.3°(0.69), 47.9°(0.28), 51.0°(0.25), 51.8°(0.23), 52.3°(0.11), 56.6°(0.32), 62.9°(0.21), 69.1°(0.2), 69.8°(0.09), 72.2°(0.14), 74.3°(0.23), 82.8°(0.12), 89.7°... | JVASP-23700 | 4.18 4.18 9.91
90 90 90
Ce 0.500 0.000 0.755
Ce 0.000 0.500 0.245
Si 0.500 0.000 0.370
Si 0.500 0.500 0.000
Si 0.000 0.500 0.630
Si 0.000 0.000 0.000
Ir 0.000 0.500 0.873
Ir 0.500 0.500 0.500
Ir 0.000 0.000 0.500
Ir 0.500 0.000 0.127 |
Below is a description of a material. | The chemical formula is: ErNi5.
The XRD pattern shows main peaks at: 22.5°(0.08), 31.1°(0.58), 37.2°(0.32), 43.2°(0.36), 43.9°(1.0), 45.9°(0.29), 60.5°(0.15), 63.2°(0.15), 64.8°(0.21), 71.6°(0.22), 79.2°(0.15), 83.5°(0.16), 85.0°(0.06), 87.5°(0.06).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-19865 | 4.84 4.84 3.96
90 90 120
Er 0.000 0.000 0.000
Ni 0.500 0.000 0.500
Ni 0.333 0.667 0.000
Ni 0.667 0.333 0.000
Ni 0.000 0.500 0.500
Ni 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: SmMg3.
The XRD pattern shows main peaks at: 21.0°(0.69), 24.3°(0.35), 34.6°(1.0), 40.8°(0.39), 42.7°(0.11), 49.7°(0.19), 56.0°(0.1), 61.9°(0.34).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-18745 | 5.19 5.19 5.19
60 60 59
Sm 0.000 0.000 0.000
Mg 0.500 0.500 0.500
Mg 0.250 0.250 0.250
Mg 0.750 0.750 0.750 |
Below is a description of a material. | The chemical formula is: ScGaCu4.
The XRD pattern shows main peaks at: 22.2°(0.14), 36.7°(0.21), 43.3°(1.0), 45.3°(0.47), 52.8°(0.07), 66.0°(0.08), 70.6°(0.28), 77.9°(0.23).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182969 | 4.90 4.90 4.90
60 60 60
Sc -0.000 -0.000 -0.000
Ga 0.250 0.250 0.250
Cu 0.625 0.625 0.625
Cu 0.125 0.625 0.625
Cu 0.625 0.125 0.625
Cu 0.625 0.625 0.125 |
Below is a description of a material. | The chemical formula is: Ag2F.
The XRD pattern shows main peaks at: 15.4°(0.14), 31.0°(0.17), 34.4°(0.15), 37.9°(1.0), 47.0°(0.39), 59.8°(0.1), 61.7°(0.17), 70.6°(0.09), 74.7°(0.12), 75.3°(0.12), 81.2°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-19693 | 3.01 3.01 5.77
90 90 120
Ag 0.333 0.667 0.692
Ag 0.667 0.333 0.308
F 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: ZnSnAs2.
The XRD pattern shows main peaks at: 26.0°(1.0), 39.4°(0.13), 43.0°(0.69), 51.0°(0.41), 62.5°(0.11), 68.8°(0.1), 78.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-102645 | 7.28 7.28 7.28
33 33 33
Zn 0.635 0.635 0.635
Sn 0.117 0.117 0.117
As 0.990 0.990 0.990
As 0.508 0.508 0.508 |
Below is a description of a material. | The chemical formula is: LiCuS.
The XRD pattern shows main peaks at: 16.7°(0.83), 26.2°(0.21), 26.5°(0.19), 28.3°(0.36), 29.6°(0.1), 32.3°(0.09), 33.8°(1.0), 34.5°(0.29), 41.2°(0.25), 43.5°(0.13), 45.8°(0.14), 53.9°(0.17), 54.7°(0.21), 58.6°(0.17), 61.4°(0.15), 67.7°(0.06).
Generate atomic structure description with la... | JVASP-43081 | 6.04 6.04 6.96
115 115 91
Li 0.738 0.487 0.976
Li 0.988 0.238 0.476
Li 0.015 0.765 0.530
Li 0.265 0.514 0.030
Cu 0.500 0.002 0.502
Cu 0.004 0.001 0.004
Cu 0.502 0.503 0.504
Cu 0.502 1.000 0.001
S 0.903 0.600 0.753
S 0.351 0.152 0.753
S 0.101 0.402 0.253
S 0.652 0.850 0.253 |
Below is a description of a material. | The chemical formula is: Ba2Tl2CuO6.
The XRD pattern shows main peaks at: 7.4°(0.16), 25.6°(0.22), 29.7°(1.0), 32.6°(0.54), 37.8°(0.13), 45.0°(0.13), 46.8°(0.23), 50.8°(0.15), 56.5°(0.33), 61.7°(0.07), 68.4°(0.08), 77.9°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom typ... | JVASP-176811 | 3.88 3.88 12.20
99 99 90
Ba 0.582 0.582 0.164
Ba 0.418 0.418 0.836
Tl 0.798 0.798 0.596
Tl 0.202 0.202 0.404
Cu 0.000 0.000 -0.000
O 0.884 0.884 0.768
O 0.116 0.116 0.232
O 0.500 0.000 -0.000
O 0.000 0.500 -0.000
O 0.710 0.710 0.420
O 0.290 0.290 0.580 |
Below is a description of a material. | The chemical formula is: TaTiRu2.
The XRD pattern shows main peaks at: 24.7°(0.2), 40.8°(1.0), 48.3°(0.11), 59.1°(0.16), 65.0°(0.05), 74.3°(0.33), 88.4°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-188111 | 4.42 4.42 4.42
60 60 60
Ru 0.250 0.250 0.250
Ru 0.750 0.750 0.750
Ti -0.000 -0.000 0.000
Ta 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: TaTiBe.
The XRD pattern shows main peaks at: 15.5°(1.0), 31.3°(0.34), 33.2°(0.87), 40.1°(0.98), 46.2°(0.36), 47.7°(0.13), 49.0°(0.24), 51.7°(0.17), 56.8°(0.27), 66.3°(0.2), 67.4°(0.11), 68.5°(0.16), 69.6°(0.09), 76.1°(0.11), 77.2°(0.16), 81.4°(0.26), 83.6°(0.14), 86.7°(0.09).
Generate atomic st... | JVASP-65153 | 6.05 6.05 6.05
153 153 37
Ta 0.349 0.349 0.000
Ti 0.650 0.650 -0.000
Be 0.001 0.001 0.000 |
Below is a description of a material. | The chemical formula is: Rb2CrCl4.
The XRD pattern shows main peaks at: 11.1°(0.32), 22.3°(0.09), 24.5°(0.77), 25.3°(0.97), 27.7°(0.2), 33.3°(0.21), 34.0°(0.89), 36.1°(1.0), 42.6°(0.2), 45.5°(0.1), 50.2°(0.44), 52.0°(0.33), 59.4°(0.19), 63.4°(0.21), 76.6°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-54814 | 4.97 4.97 8.72
106 106 90
Rb 0.641 0.641 0.283
Rb 0.359 0.359 0.717
Cr 0.000 0.000 0.000
Cl 0.155 0.155 0.310
Cl 0.845 0.845 0.690
Cl 0.500 -0.000 -0.000
Cl -0.000 0.500 -0.000 |
Below is a description of a material. | The chemical formula is: Er2AlSi2.
The XRD pattern shows main peaks at: 18.6°(0.09), 20.7°(0.31), 26.9°(0.67), 31.2°(0.27), 34.2°(1.0), 35.0°(0.23), 37.7°(0.35), 38.5°(0.19), 39.9°(0.14), 42.0°(0.09), 44.7°(0.18), 49.7°(0.07), 52.9°(0.14), 55.5°(0.11), 57.4°(0.15), 58.0°(0.08), 59.9°(0.17), 67.6°(0.19).
Generate atomic... | JVASP-16254 | 4.06 5.55 5.55
62 68 68
Er 0.788 0.712 0.712
Er 0.212 0.288 0.288
Al 0.000 0.000 0.000
Si 0.500 0.290 0.710
Si 0.500 0.710 0.290 |
Below is a description of a material. | The chemical formula is: Tb3Mn4Ge4.
The XRD pattern shows main peaks at: 22.6°(0.09), 23.2°(0.1), 25.3°(0.16), 34.1°(1.0), 35.2°(0.36), 36.5°(0.91), 39.5°(0.15), 43.3°(0.27), 44.0°(0.35), 51.3°(0.09), 52.2°(0.15), 57.5°(0.16), 60.1°(0.06), 63.5°(0.15), 65.5°(0.06), 70.3°(0.08), 76.7°(0.16).
Generate atomic structure de... | JVASP-54450 | 4.12 7.05 7.96
116 104 90
Tb 0.880 0.878 0.752
Tb 0.004 0.502 0.000
Tb 0.128 0.126 0.248
Mn 0.326 0.134 0.644
Mn 0.682 0.490 0.356
Mn 0.326 0.513 0.644
Mn 0.682 0.869 0.356
Ge 0.224 0.722 0.441
Ge 0.504 0.203 0.000
Ge 0.504 0.801 0.000
Ge 0.783 0.281 0.559 |
Below is a description of a material. | The chemical formula is: LiAgO.
The XRD pattern shows main peaks at: 26.2°(1.0), 27.4°(0.51), 38.3°(0.76), 46.2°(0.35), 53.8°(0.13), 54.5°(0.4), 56.6°(0.06), 61.5°(0.18), 63.4°(0.16), 76.0°(0.15), 80.2°(0.17), 82.0°(0.07).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-114152 | 3.93 3.93 3.25
90 90 119
Li 0.333 0.667 0.000
Ag 0.000 0.000 0.000
O 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: AlV3C.
The XRD pattern shows main peaks at: 22.3°(0.16), 39.1°(1.0), 45.5°(0.61), 66.3°(0.36), 79.8°(0.32), 84.1°(0.12).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-180637 | 3.99 3.99 3.99
90 90 90
Al 0.000 0.000 0.000
V 0.000 0.500 0.500
V 0.500 0.500 0.000
V 0.500 0.000 0.500
C 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: K2ScAgI6.
The XRD pattern shows main peaks at: 15.1°(0.57), 26.4°(0.97), 30.6°(1.0), 34.3°(0.33), 43.8°(0.74), 51.8°(0.41), 54.3°(0.26), 63.6°(0.12), 72.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107606 | 8.27 8.27 8.27
60 60 60
K 0.750 0.750 0.750
K 0.250 0.250 0.250
Sc 0.000 0.000 0.000
Ag 0.500 0.500 0.500
I 0.754 0.246 0.246
I 0.246 0.246 0.754
I 0.246 0.754 0.754
I 0.246 0.754 0.246
I 0.754 0.246 0.754
I 0.754 0.754 0.246 |
Below is a description of a material. | The chemical formula is: SmGe2.
The XRD pattern shows main peaks at: 21.5°(0.11), 27.3°(0.27), 33.0°(1.0), 35.0°(0.57), 44.4°(0.34), 44.6°(0.37), 57.9°(0.26), 64.7°(0.22), 74.8°(0.19).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-13742 | 4.06 4.06 8.76
103 103 89
Sm 0.875 0.625 0.250
Sm 0.125 0.375 0.750
Ge 0.704 0.954 0.907
Ge 0.454 0.204 0.407
Ge 0.546 0.796 0.593
Ge 0.296 0.046 0.093 |
Below is a description of a material. | The chemical formula is: Sr3ScN3.
The XRD pattern shows main peaks at: 22.5°(0.24), 26.0°(0.18), 28.0°(1.0), 30.9°(0.54), 33.3°(0.46), 34.6°(0.37), 39.4°(0.3), 40.6°(0.1), 47.9°(0.14), 48.8°(0.26), 51.0°(0.13), 52.6°(0.27), 56.4°(0.15), 58.1°(0.1), 59.6°(0.15), 61.4°(0.1), 70.0°(0.05), 71.0°(0.16).
Generate atomic stru... | JVASP-121653 | 7.91 7.91 5.37
90 90 120
Sr 0.931 0.657 0.250
Sr 0.726 0.069 0.250
Sr 0.343 0.274 0.250
Sr 0.069 0.343 0.750
Sr 0.274 0.931 0.750
Sr 0.657 0.726 0.750
Sc 0.667 0.333 0.750
Sc 0.333 0.667 0.250
N 0.908 0.610 0.750
N 0.702 0.092 0.750
N 0.390 0.298 0.750
N 0.092 0.390 0.250
N 0.298 0.908 0.250
N 0.610 0.702 0.250 |
Below is a description of a material. | The chemical formula is: YTaRu2.
The XRD pattern shows main peaks at: 23.6°(0.08), 39.0°(1.0), 56.3°(0.18), 70.6°(0.35), 83.7°(0.11).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-79952 | 4.62 4.62 4.62
60 60 60
Y 0.750 0.750 0.750
Ta 0.250 0.250 0.250
Ru 0.000 0.000 0.000
Ru 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: MnZn2SbO6.
The XRD pattern shows main peaks at: 16.8°(0.16), 28.8°(0.12), 33.0°(0.79), 34.0°(1.0), 47.2°(0.18), 47.5°(0.2), 50.3°(0.12), 59.6°(0.4), 61.3°(0.15), 69.2°(0.09), 71.6°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-49597 | 5.28 7.66 5.31
90 93 90
Mn -0.000 0.500 0.500
Mn -0.000 0.000 0.500
Zn 0.553 0.250 0.519
Zn 0.447 0.750 0.481
Zn 0.015 0.250 0.038
Zn 0.985 0.750 0.962
Sb 0.500 0.500 0.000
Sb 0.500 0.000 0.000
O 0.319 0.436 0.668
O 0.922 0.250 0.399
O 0.681 0.936 0.332
O 0.588 0.750 0.870
O 0.811 0.071 0.839
O 0.189 0.929 0.161
O 0.81... |
Below is a description of a material. | The chemical formula is: Zr2TiTc3.
The XRD pattern shows main peaks at: 39.5°(1.0), 57.1°(0.11), 71.7°(0.21).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-191860 | 3.23 3.23 9.67
90 90 90
Zr 0.500 0.500 0.828
Zr 0.500 0.500 0.172
Ti 0.500 0.500 0.500
Tc -0.000 -0.000 -0.000
Tc 0.000 -0.000 0.655
Tc -0.000 0.000 0.345 |
Below is a description of a material. | The chemical formula is: BeReOs4.
The XRD pattern shows main peaks at: 21.4°(0.53), 24.8°(0.12), 35.3°(0.12), 41.7°(1.0), 43.6°(0.7), 50.8°(0.18), 55.7°(0.13), 67.7°(0.36), 74.7°(0.31), 78.7°(0.09), 89.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65184 | 5.08 5.08 5.08
60 60 60
Be 0.000 0.000 0.000
Re 0.250 0.250 0.250
Os 0.124 0.625 0.625
Os 0.625 0.625 0.625
Os 0.625 0.124 0.625
Os 0.625 0.625 0.124 |
Below is a description of a material. | The chemical formula is: CuHN.
The XRD pattern shows main peaks at: 31.3°(1.0), 44.9°(0.47), 55.7°(0.2), 65.3°(0.32), 74.3°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-136502 | 3.30 3.30 2.85
90 90 120
Cu 0.000 0.000 0.000
H 0.333 0.667 0.000
N 0.667 0.333 0.000 |
Below is a description of a material. | The chemical formula is: CaSb5.
The XRD pattern shows main peaks at: 7.7°(0.13), 28.4°(1.0), 39.6°(0.4), 41.6°(0.35), 51.2°(0.2), 58.8°(0.12), 68.0°(0.16), 74.6°(0.12), 76.0°(0.06).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-124640 | 4.34 4.34 11.42
90 90 120
Ca 0.000 0.000 0.250
Sb 0.667 0.333 0.071
Sb 0.667 0.333 0.585
Sb 0.333 0.667 0.429
Sb 0.333 0.667 0.915
Sb 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: CoTeO4.
The XRD pattern shows main peaks at: 18.2°(0.1), 20.6°(1.0), 21.9°(0.08), 33.7°(0.48), 35.0°(0.28), 35.9°(0.19), 36.8°(0.09), 41.8°(0.07), 43.3°(0.45), 44.7°(0.21), 48.7°(0.15), 49.1°(0.07), 58.1°(0.08), 60.4°(0.23), 62.3°(0.09), 64.3°(0.08), 64.8°(0.1), 67.5°(0.13), 69.6°(0.06), 76.1°(... | JVASP-60766 | 4.64 3.18 5.24
90 111 90
Co 0.500 0.500 -0.000
Te 0.500 0.000 0.500
O 0.716 0.000 0.223
O 0.727 0.500 0.758
O 0.284 0.000 0.777
O 0.273 0.500 0.242 |
Below is a description of a material. | The chemical formula is: CaCuS2.
The XRD pattern shows main peaks at: 19.2°(0.09), 23.9°(0.35), 27.3°(0.11), 30.9°(1.0), 36.6°(0.08), 39.0°(0.66), 46.3°(0.2), 49.0°(0.17), 50.5°(0.48), 56.3°(0.21), 62.0°(0.08), 64.3°(0.27), 65.6°(0.1), 77.8°(0.15), 79.0°(0.11), 80.2°(0.06), 83.7°(0.06).
Generate atomic structure descri... | JVASP-79228 | 3.72 4.62 4.62
90 90 90
Ca 0.500 0.500 0.500
Cu 0.000 0.000 0.000
S 0.000 0.500 0.000
S 0.000 0.000 0.500 |
Below is a description of a material. | The chemical formula is: VTe2.
The XRD pattern shows main peaks at: 27.4°(0.18), 31.0°(1.0), 39.4°(0.29), 49.0°(0.23), 50.7°(0.2), 57.1°(0.12), 59.1°(0.09), 78.1°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-128463 | 3.72 3.71 6.51
90 89 119
V 0.000 0.333 0.333
Te 0.333 -0.000 0.590
Te 0.667 0.667 0.076 |
Below is a description of a material. | The chemical formula is: Mn3OF5.
The XRD pattern shows main peaks at: 25.6°(1.0), 26.8°(0.86), 33.5°(0.79), 37.4°(0.12), 38.1°(0.18), 39.0°(0.12), 42.8°(0.08), 50.4°(0.57), 51.9°(0.28), 52.6°(0.19), 55.3°(0.15), 57.1°(0.2), 60.0°(0.08), 63.6°(0.11), 64.9°(0.25).
Generate atomic structure description with lattice length... | JVASP-112283 | 4.81 5.78 8.06
87 88 87
Mn 0.516 0.493 0.994
Mn 0.495 0.168 0.335
Mn 0.517 0.821 0.661
Mn 0.982 0.668 0.348
Mn 0.974 0.347 0.677
Mn 0.995 0.015 0.991
O 0.799 0.614 0.574
O 0.808 0.302 0.889
F 0.191 0.355 0.456
F 0.301 0.204 0.102
F 0.300 0.551 0.771
F 0.307 0.858 0.428
F 0.807 0.969 0.229
F 0.695 0.467 0.232
F 0.693 0.... |
Below is a description of a material. | The chemical formula is: TaBi5.
The XRD pattern shows main peaks at: 5.1°(0.07), 25.8°(0.13), 31.8°(1.0), 33.9°(0.11), 36.6°(0.56), 53.2°(0.27), 60.1°(0.08), 63.3°(0.15), 66.4°(0.1), 87.3°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-131625 | 3.44 3.44 17.25
90 90 119
Ta 0.000 0.000 0.250
Bi 0.667 0.333 0.119
Bi 0.667 0.333 0.575
Bi 0.333 0.667 0.381
Bi 0.333 0.667 0.925
Bi 0.000 0.000 0.750 |
Below is a description of a material. | The chemical formula is: OsRh.
The XRD pattern shows main peaks at: 10.1°(0.33), 37.8°(0.25), 39.2°(0.07), 41.3°(0.26), 43.2°(1.0), 49.4°(0.05), 57.2°(0.16), 68.2°(0.18), 82.9°(0.21), 84.2°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189682 | 2.75 2.75 8.74
90 90 120
Rh 0.000 0.000 0.495
Rh 0.333 0.667 0.755
Os -0.000 0.000 0.004
Os 0.333 0.667 0.246 |
Below is a description of a material. | The chemical formula is: BeNi2.
The XRD pattern shows main peaks at: 19.9°(0.2), 37.1°(0.56), 40.4°(0.23), 47.3°(1.0), 51.4°(0.44), 62.4°(0.08), 67.3°(0.17), 75.6°(0.12), 85.0°(0.13), 85.4°(0.12), 87.4°(0.09), 89.5°(0.08).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-189268 | 2.51 2.51 4.80
105 105 90
Ni 0.651 0.651 0.303
Ni 0.349 0.349 0.697
Be 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: MnZnTe2.
The XRD pattern shows main peaks at: 24.7°(1.0), 28.6°(0.08), 40.9°(0.64), 48.4°(0.35), 59.3°(0.07), 65.2°(0.15), 74.6°(0.15), 80.0°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-107544 | 4.40 4.40 6.26
90 90 90
Mn 0.000 0.000 0.000
Zn 0.500 0.500 0.500
Te 0.000 0.500 0.254
Te 0.500 0.000 0.746 |
Below is a description of a material. | The chemical formula is: Sr3Mg.
The XRD pattern shows main peaks at: 21.6°(0.12), 25.0°(0.25), 27.7°(0.2), 28.0°(0.28), 28.5°(1.0), 35.7°(0.07), 39.8°(0.14), 40.7°(0.11), 41.6°(0.1), 49.2°(0.07), 49.9°(0.21), 50.9°(0.12), 59.0°(0.08), 68.0°(0.08), 79.9°(0.05), 82.0°(0.05).
Generate atomic structure description with lat... | JVASP-90777 | 4.34 12.88 6.37
90 90 90
Sr 0.500 0.000 0.917
Sr 0.000 0.282 0.917
Sr 0.500 0.218 0.417
Sr 0.000 0.500 0.417
Sr 0.500 0.782 0.417
Sr 0.000 0.718 0.917
Mg 0.000 0.000 0.417
Mg 0.500 0.500 0.917 |
Below is a description of a material. | The chemical formula is: Ba2TmNbO6.
The XRD pattern shows main peaks at: 29.8°(1.0), 42.7°(0.3), 52.9°(0.38), 62.0°(0.17), 70.3°(0.17), 78.2°(0.06), 85.8°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-10999 | 5.99 5.99 5.99
60 60 60
Ba 0.750 0.750 0.750
Ba 0.250 0.250 0.250
Tm 0.500 0.500 0.500
Nb 0.000 0.000 0.000
O 0.239 0.761 0.761
O 0.239 0.761 0.239
O 0.761 0.239 0.761
O 0.239 0.239 0.761
O 0.761 0.239 0.239
O 0.761 0.761 0.239 |
Below is a description of a material. | The chemical formula is: ZrSc5.
The XRD pattern shows main peaks at: 18.0°(0.1), 25.2°(0.07), 31.5°(0.28), 35.3°(0.26), 36.2°(1.0), 48.0°(0.15), 56.1°(0.18), 64.0°(0.17), 68.1°(0.17), 68.6°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-194449 | 5.68 5.68 5.08
90 90 120
Sc 0.007 -0.000 0.000
Sc 0.660 0.326 -0.000
Sc 0.333 0.674 0.000
Sc -0.000 0.333 0.500
Sc 0.667 0.667 0.500
Zr 0.333 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: MgBiAsO6.
The XRD pattern shows main peaks at: 13.4°(0.26), 15.1°(0.5), 21.8°(0.19), 22.3°(1.0), 23.9°(0.66), 29.8°(0.48), 31.3°(0.54), 32.3°(0.55), 34.4°(0.3), 35.1°(0.15), 37.5°(0.17), 39.9°(0.26), 40.4°(0.18), 42.8°(0.12), 48.6°(0.11), 51.0°(0.14), 52.2°(0.3), 54.9°(0.16), 56.6°(0.11), 59.7°... | JVASP-10915 | 6.36 5.68 7.52
90 118 90
Mg 0.139 0.750 0.945
Mg 0.861 0.250 0.055
Bi 0.218 0.250 0.580
Bi 0.782 0.750 0.420
As 0.401 0.250 0.146
As 0.599 0.750 0.854
O 0.769 0.518 0.850
O 0.063 0.526 0.697
O 0.515 0.750 0.039
O 0.937 0.474 0.303
O 0.063 0.974 0.697
O 0.937 0.026 0.303
O 0.485 0.250 -0.039
O 0.231 0.018 0.150
O 0.667 ... |
Below is a description of a material. | The chemical formula is: HoRe2.
The XRD pattern shows main peaks at: 33.1°(0.25), 36.1°(0.68), 38.4°(0.1), 39.1°(1.0), 39.8°(0.97), 41.0°(0.22), 43.8°(0.23), 45.5°(0.13), 61.1°(0.26), 63.1°(0.24), 66.4°(0.32), 69.5°(0.3), 83.2°(0.11), 83.9°(0.18).
Generate atomic structure description with lattice lengths, angles, coor... | JVASP-121403 | 5.41 5.41 8.81
90 90 120
Ho 0.333 0.667 0.438
Ho 0.667 0.333 0.562
Ho 0.667 0.333 0.938
Ho 0.333 0.667 0.062
Re 0.000 0.000 0.500
Re 0.000 0.000 0.000
Re 0.829 0.171 0.250
Re 0.829 0.658 0.250
Re 0.342 0.171 0.250
Re 0.171 0.829 0.750
Re 0.171 0.342 0.750
Re 0.658 0.829 0.750 |
Below is a description of a material. | The chemical formula is: La3Sc.
The XRD pattern shows main peaks at: 15.2°(0.21), 17.6°(0.08), 29.0°(0.08), 30.3°(1.0), 30.6°(0.93), 35.2°(0.69), 35.6°(0.32), 50.2°(0.12), 51.0°(0.54), 60.0°(0.29), 60.6°(0.31), 63.1°(0.12), 63.8°(0.12), 74.4°(0.07), 81.8°(0.06), 82.8°(0.11), 83.3°(0.11), 84.5°(0.05), 85.4°(0.1), 86.1°(... | JVASP-188252 | 6.18 6.18 3.63
90 90 109
Sc 0.500 0.500 0.000
La 0.000 -0.000 0.000
La -0.000 0.500 0.500
La 0.500 -0.000 0.500 |
Below is a description of a material. | The chemical formula is: LaCuTeO.
The XRD pattern shows main peaks at: 28.6°(1.0), 30.2°(0.25), 31.7°(0.13), 35.9°(0.42), 43.2°(0.35), 44.4°(0.09), 48.7°(0.06), 49.7°(0.25), 52.7°(0.36), 57.4°(0.07), 62.8°(0.12), 63.7°(0.06), 67.1°(0.09), 70.4°(0.08), 74.5°(0.06), 84.0°(0.1), 86.4°(0.08).
Generate atomic structure desc... | JVASP-150064 | 4.19 4.19 9.35
90 90 90
La 0.250 0.250 0.627
La 0.750 0.750 0.373
Cu 0.750 0.250 0.000
Cu 0.250 0.750 0.000
Te 0.250 0.250 0.178
Te 0.750 0.750 0.822
O 0.750 0.250 0.500
O 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: FeTe.
The XRD pattern shows main peaks at: 13.5°(0.14), 27.1°(0.06), 27.9°(1.0), 34.7°(0.08), 36.8°(0.07), 37.4°(0.23), 41.2°(0.1), 44.6°(0.63), 48.4°(0.18), 50.0°(0.23), 55.9°(0.06), 58.2°(0.28), 61.9°(0.05), 66.7°(0.09), 72.1°(0.11), 73.3°(0.07), 78.2°(0.08), 80.2°(0.05), 82.2°(0.08).
Generat... | JVASP-5083 | 3.65 3.65 6.58
90 90 90
Fe 0.500 0.500 0.000
Fe 0.000 0.000 0.000
Te 0.500 0.000 0.280
Te 0.000 0.500 0.720 |
Below is a description of a material. | The chemical formula is: BaMnO2.
The XRD pattern shows main peaks at: 15.2°(0.19), 26.4°(0.12), 30.6°(1.0), 37.6°(0.43), 40.9°(0.18), 49.3°(0.3), 54.5°(0.23), 63.6°(0.33), 70.1°(0.05), 76.6°(0.07), 80.5°(0.14), 88.4°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-182494 | 3.38 3.38 5.82
90 90 90
Ba 0.500 0.500 0.548
Mn 0.000 0.000 0.062
O 0.000 -0.000 0.393
O 0.500 0.500 0.007 |
Below is a description of a material. | The chemical formula is: Mn7BiO12.
The XRD pattern shows main peaks at: 16.8°(0.37), 23.9°(0.06), 29.3°(0.14), 34.0°(1.0), 38.1°(0.17), 42.0°(0.06), 45.5°(0.22), 48.8°(0.24), 60.8°(0.45), 71.5°(0.11), 81.6°(0.16).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143598 | 6.46 6.46 6.46
109 109 109
Mn 0.500 0.500 0.000
Mn 0.500 0.000 0.500
Mn -0.000 0.500 0.500
Mn 0.500 0.500 0.500
Mn 0.000 0.000 0.500
Mn -0.000 0.500 -0.000
Mn 0.500 0.000 0.000
Bi 0.000 0.000 0.000
O 0.824 0.691 0.515
O 0.176 0.309 0.485
O 0.515 0.824 0.691
O 0.132 0.824 0.309
O 0.485 0.176 0.309
O 0.309 0.132 0.824
O ... |
Below is a description of a material. | The chemical formula is: BeSi2Ge.
The XRD pattern shows main peaks at: 13.7°(0.21), 27.6°(0.49), 28.0°(0.49), 31.3°(1.0), 39.8°(0.7), 40.1°(0.76), 41.9°(0.11), 42.5°(0.06), 49.4°(0.34), 51.2°(0.44), 58.0°(0.24), 59.4°(0.17), 64.7°(0.11), 65.4°(0.17), 67.4°(0.21), 72.6°(0.24), 74.1°(0.09), 81.0°(0.22), 86.5°(0.09), 86.9... | JVASP-67855 | 3.18 3.18 6.46
90 90 90
Be 0.000 0.000 0.459
Si 0.000 0.000 0.090
Si 0.500 0.500 0.275
Ge 0.500 0.500 0.676 |
Below is a description of a material. | The chemical formula is: Ba4ZrGa.
The XRD pattern shows main peaks at: 15.4°(0.24), 25.2°(0.16), 29.7°(1.0), 31.0°(0.63), 36.0°(0.13), 39.3°(0.08), 44.4°(0.07), 47.3°(0.38), 51.8°(0.34), 54.3°(0.06), 60.8°(0.14), 61.6°(0.25), 72.7°(0.25), 76.2°(0.06), 83.9°(0.07), 84.5°(0.05).
Generate atomic structure description with... | JVASP-64192 | 7.07 7.07 7.07
60 60 60
Ba 0.126 0.625 0.625
Ba 0.625 0.625 0.625
Ba 0.625 0.126 0.625
Ba 0.625 0.625 0.126
Zr 0.000 0.000 0.000
Ga 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: NbCo.
The XRD pattern shows main peaks at: 29.0°(0.06), 41.4°(1.0), 60.0°(0.15), 75.6°(0.33).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-78467 | 3.08 3.08 3.08
90 90 90
Nb 0.000 0.000 0.000
Co 0.500 0.500 0.500 |
Below is a description of a material. | The chemical formula is: LiCdAs.
The XRD pattern shows main peaks at: 20.1°(1.0), 22.2°(0.54), 30.1°(0.48), 39.0°(0.54), 40.9°(0.15), 44.3°(0.68), 45.3°(0.08), 47.0°(0.15), 50.1°(0.11), 57.8°(0.31), 70.6°(0.08), 74.3°(0.15), 76.8°(0.14), 85.0°(0.1), 87.3°(0.1).
Generate atomic structure description with lattice lengths... | JVASP-116425 | 4.62 4.62 4.42
90 90 120
Li 0.667 0.333 0.000
Cd 0.333 0.667 0.000
As 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4TiP.
The XRD pattern shows main peaks at: 15.6°(0.6), 30.2°(1.0), 31.6°(0.81), 36.6°(0.27), 40.1°(0.19), 48.2°(0.36), 52.8°(0.36), 55.4°(0.16), 62.0°(0.12), 62.8°(0.32), 66.0°(0.07), 68.3°(0.08), 74.3°(0.2), 77.9°(0.06), 85.8°(0.07), 86.5°(0.07), 89.3°(0.05).
Generate atomic structure descri... | JVASP-64100 | 6.94 6.94 6.94
60 60 60
Ba 0.128 0.624 0.624
Ba 0.624 0.624 0.624
Ba 0.624 0.128 0.624
Ba 0.624 0.624 0.128
Ti 0.000 0.000 0.000
P 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: VCl.
The XRD pattern shows main peaks at: 41.6°(1.0), 60.2°(0.15), 75.8°(0.29).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-122932 | 3.07 3.07 3.07
90 90 90
V 0.500 0.500 0.500
Cl 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Ba4BeSn.
The XRD pattern shows main peaks at: 15.4°(0.49), 17.8°(0.08), 25.3°(0.1), 29.7°(1.0), 31.1°(0.72), 36.1°(0.18), 39.4°(0.13), 40.5°(0.05), 47.4°(0.39), 51.9°(0.36), 54.5°(0.11), 61.0°(0.14), 61.8°(0.29), 67.1°(0.06), 72.9°(0.24), 76.5°(0.06), 84.2°(0.07), 84.9°(0.06).
Generate atomic s... | JVASP-64474 | 7.04 7.04 7.04
60 60 60
Ba 0.123 0.626 0.626
Ba 0.626 0.626 0.626
Ba 0.626 0.123 0.626
Ba 0.626 0.626 0.123
Be 0.250 0.250 0.250
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Al4VNi15.
The XRD pattern shows main peaks at: 25.1°(0.08), 35.8°(0.06), 44.2°(1.0), 51.5°(0.32), 75.8°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-143213 | 3.55 3.55 17.72
90 90 90
Al 0.000 0.000 0.201
Al 0.000 0.000 0.400
Al 0.000 0.000 0.600
Al 0.000 0.000 0.799
V 0.000 0.000 0.000
Ni 0.000 0.500 0.500
Ni 0.000 0.500 0.300
Ni 0.000 0.500 0.098
Ni 0.500 0.000 0.902
Ni 0.500 0.000 0.700
Ni 0.500 0.000 0.500
Ni 0.500 0.500 0.801
Ni 0.500 0.000 0.098
Ni 0.000 0.500 0.700
Ni... |
Below is a description of a material. | The chemical formula is: VBrO.
The XRD pattern shows main peaks at: 10.7°(0.2), 25.8°(1.0), 28.2°(0.12), 32.4°(0.17), 34.0°(0.8), 35.3°(0.11), 36.9°(0.31), 41.6°(0.13), 42.0°(0.14), 47.8°(0.22), 48.6°(0.45), 50.1°(0.14), 53.5°(0.14), 55.4°(0.07), 59.9°(0.3), 60.3°(0.19), 65.5°(0.06), 74.6°(0.1), 76.4°(0.08), 89.7°(0.08... | JVASP-109214 | 3.42 3.81 8.29
90 90 90
V 0.750 0.750 0.896
V 0.250 0.250 0.104
Br 0.250 0.750 0.673
Br 0.750 0.250 0.327
O 0.750 0.250 0.954
O 0.250 0.750 0.046 |
Below is a description of a material. | The chemical formula is: Li2ZnIn.
The XRD pattern shows main peaks at: 23.8°(0.13), 27.6°(1.0), 39.4°(0.99), 46.5°(0.06), 48.7°(0.28), 56.9°(0.17), 64.4°(0.35), 71.4°(0.33), 84.7°(0.1).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161443 | 4.58 4.58 4.58
60 60 60
Li 0.000 0.000 0.000
Li 0.500 0.500 0.500
Zn 0.750 0.750 0.750
In 0.250 0.250 0.250 |
Below is a description of a material. | The chemical formula is: Sr2LuRuO6.
The XRD pattern shows main peaks at: 21.9°(0.13), 31.1°(1.0), 44.6°(0.3), 55.3°(0.34), 64.9°(0.11), 73.7°(0.09).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-161688 | 5.74 5.76 8.12
90 90 90
Sr 0.006 0.029 0.249
Sr 0.494 0.529 0.251
Sr 0.506 0.471 0.749
Sr 0.994 0.971 0.751
Lu 0.000 0.500 0.500
Lu 0.500 0.000 0.000
Ru 0.500 0.000 0.500
Ru 0.000 0.500 0.000
O 0.231 0.794 0.465
O 0.269 0.294 0.035
O 0.204 0.771 0.035
O 0.296 0.271 0.465
O 0.796 0.229 0.965
O 0.066 0.513 0.763
O 0.934 ... |
Below is a description of a material. | The chemical formula is: BiTeSe2.
The XRD pattern shows main peaks at: 14.7°(0.06), 20.4°(0.06), 25.3°(0.3), 29.0°(1.0), 29.7°(0.47), 41.5°(0.37), 42.0°(0.74), 49.2°(0.12), 50.1°(0.06), 51.8°(0.35), 60.1°(0.13), 61.7°(0.06), 68.1°(0.18), 68.5°(0.17), 69.6°(0.17), 76.0°(0.25), 77.1°(0.13).
Generate atomic structure desc... | JVASP-179224 | 4.35 4.35 6.01
90 90 90
Bi 0.500 0.500 0.502
Te 0.000 0.000 0.003
Se 0.000 0.000 0.502
Se 0.500 0.500 0.004 |
Below is a description of a material. | The chemical formula is: MnBeSn2.
The XRD pattern shows main peaks at: 21.9°(0.31), 31.1°(1.0), 33.1°(0.23), 36.7°(0.53), 41.6°(0.48), 44.6°(0.34), 47.5°(0.17), 54.1°(0.4), 56.6°(0.08), 60.3°(0.15), 64.9°(0.08), 69.4°(0.22), 70.5°(0.11), 72.6°(0.28), 78.0°(0.13), 85.3°(0.1), 87.3°(0.09).
Generate atomic structure descr... | JVASP-71358 | 3.07 3.07 8.13
90 90 90
Mn 0.500 0.500 0.688
Be 0.000 0.000 0.564
Sn 0.000 0.000 0.925
Sn 0.500 0.500 0.324 |
Below is a description of a material. | The chemical formula is: BeReMo.
The XRD pattern shows main peaks at: 15.2°(0.49), 30.8°(0.21), 36.4°(0.25), 39.7°(1.0), 46.9°(0.14), 48.4°(0.47), 60.8°(0.14), 65.6°(0.16), 67.8°(0.07), 74.2°(0.1), 76.0°(0.15), 79.5°(0.12), 84.4°(0.14), 85.6°(0.09).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-71370 | 2.85 2.85 5.81
90 90 119
Be 0.000 0.000 0.007
Re 0.667 0.333 0.314
Mo 0.333 0.667 0.679 |
Below is a description of a material. | The chemical formula is: Ba2TiTe.
The XRD pattern shows main peaks at: 18.3°(0.07), 21.1°(0.05), 30.0°(1.0), 43.0°(0.2), 53.4°(0.38), 62.4°(0.12), 70.8°(0.17), 86.6°(0.22).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-65604 | 5.95 5.95 5.95
60 60 60
Ba 0.250 0.250 0.250
Ba 0.750 0.750 0.750
Ti 0.500 0.500 0.500
Te 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: Al3Sn.
The XRD pattern shows main peaks at: 19.9°(0.23), 23.1°(0.65), 29.6°(0.17), 36.0°(1.0), 36.9°(0.21), 40.5°(0.19), 42.4°(0.33), 47.3°(0.11), 48.9°(0.18), 60.1°(0.23), 61.5°(0.11), 70.7°(0.15), 73.4°(0.26), 76.3°(0.12).
Generate atomic structure description with lattice lengths, angles, co... | JVASP-100146 | 5.38 5.38 5.38
133 133 68
Al 0.750 0.250 0.500
Al 0.250 0.750 0.500
Al 0.500 0.500 -0.000
Sn 0.000 0.000 0.000 |
Below is a description of a material. | The chemical formula is: CaCe.
The XRD pattern shows main peaks at: 15.5°(0.36), 26.4°(0.2), 30.7°(1.0), 31.3°(0.23), 37.6°(0.27), 40.9°(0.13), 41.3°(0.12), 49.7°(0.26), 54.3°(0.1), 55.3°(0.19), 56.8°(0.05), 63.7°(0.24), 70.5°(0.05), 77.8°(0.07), 81.2°(0.12), 88.7°(0.05).
Generate atomic structure description with latt... | JVASP-156760 | 3.38 4.78 5.72
90 90 45
Ca 0.000 0.000 0.000
Ce 0.000 0.500 0.500 |
Below is a description of a material. | The chemical formula is: KBeIn2.
The XRD pattern shows main peaks at: 20.9°(0.58), 34.5°(1.0), 40.6°(0.29), 49.5°(0.17), 54.3°(0.13), 61.7°(0.36), 65.9°(0.09), 72.6°(0.1), 76.6°(0.09), 83.0°(0.13).
Generate atomic structure description with lattice lengths, angles, coordinates and atom types. | JVASP-74963 | 5.21 5.21 5.21
120 120 89
K 0.500 0.500 0.000
Be 0.750 0.250 0.500
In 0.000 0.000 0.000
In 0.250 0.750 0.500 |
Below is a description of a material. | The chemical formula is: Er4Ge6Ir7.
The XRD pattern shows main peaks at: 15.0°(0.09), 26.1°(0.24), 30.2°(0.13), 37.2°(1.0), 40.3°(0.39), 43.2°(0.66), 46.0°(0.06), 51.2°(0.19), 62.8°(0.4), 69.2°(0.11), 75.3°(0.3), 77.3°(0.12), 85.2°(0.05).
Generate atomic structure description with lattice lengths, angles, coordinates a... | JVASP-159302 | 7.25 7.25 7.25
109 109 109
Er -0.000 0.500 0.000
Er 0.500 -0.000 -0.000
Er 0.500 0.500 0.500
Er -0.000 0.000 0.500
Ge 0.316 0.316 -0.000
Ge 0.684 -0.000 0.684
Ge 0.684 0.684 -0.000
Ge -0.000 0.316 0.316
Ge -0.000 0.684 0.684
Ge 0.316 -0.000 0.316
Ir 0.750 0.250 0.500
Ir 0.500 0.250 0.750
Ir 0.500 0.750 0.250
Ir 0.250 0... |
Below is a description of a material. | The chemical formula is: NaLi2AsO4.
The XRD pattern shows main peaks at: 17.0°(0.11), 21.2°(0.76), 21.6°(0.87), 24.5°(1.0), 25.3°(0.6), 27.6°(0.17), 30.7°(0.31), 34.4°(0.39), 35.5°(0.89), 43.2°(0.16), 44.0°(0.25), 46.9°(0.14), 50.2°(0.13), 52.0°(0.19), 57.0°(0.11), 58.3°(0.13), 59.3°(0.19), 63.6°(0.29), 64.5°(0.12), 71... | JVASP-10460 | 5.07 5.22 7.03
90 90 90
Na 0.521 0.786 0.000
Na 0.021 0.214 0.500
Li 0.508 0.322 0.250
Li 0.008 0.678 0.750
Li 0.508 0.322 0.750
Li 0.008 0.678 0.250
As 0.499 0.811 0.500
As 0.999 0.189 0.000
O 0.063 0.863 0.000
O 0.661 0.230 0.000
O 0.563 0.137 0.500
O 0.161 0.770 0.500
O 0.130 0.330 0.200
O 0.630 0.670 0.300
O 0.630 ... |
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