U5Bi3Pt
Alexandria ALEXAlex-ID: agm072182940 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1069_spg12
U2Bi Bi UPt
2024-09-24 20:54:13.994735
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072182940).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm072182940
data_agm072182940
_cell_length_a 6.36887
_cell_length_b 6.06954
_cell_length_c 7.02976
_cell_angle_alpha 102.66897
_cell_angle_beta 100.40149
_cell_angle_gamma 114.55608
_cell_volume 229.56767
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
U1 U 0.62352 0.35843 0.95258 1.00000
U2 U 0.05592 0.19032 0.74041 1.00000
U3 U 0.52914 0.62657 0.21096 1.00000
U4 U 0.19265 0.26840 0.26084 1.00000
U5 U 0.41126 0.47244 0.65539 1.00000
Bi1 Bi 0.68613 0.23167 0.40098 1.00000
Bi2 Bi 0.13202 0.77839 0.41262 1.00000
Bi3 Bi 0.16498 0.77105 0.90599 1.00000
Pt1 Pt 0.74660 0.96557 0.95175 1.00000
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