Li7Bi4Pd
Alexandria ALEXAlex-ID: agm003667567 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_92_spg12
Li2Bi Li2BiPd Bi2Pd
2022-04-20 10:15:29.588149
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667567).
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 agm003667567
data_agm003667567
_cell_length_a 4.94802
_cell_length_b 9.29755
_cell_length_c 6.40094
_cell_angle_alpha 77.76760
_cell_angle_beta 67.26262
_cell_angle_gamma 74.56809
_cell_volume 259.81950
_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
Li1 Li 0.80817 0.93965 0.44400 1.00000
Li2 Li 0.19183 0.06035 0.55600 1.00000
Li3 Li 0.08397 0.68855 0.14351 1.00000
Li4 Li 0.91603 0.31145 0.85649 1.00000
Li5 Li 0.36137 0.52298 0.75428 1.00000
Li6 Li 0.50000 0.00000 0.00000 1.00000
Li7 Li 0.63863 0.47702 0.24572 1.00000
Bi1 Bi 0.57636 0.22849 0.61878 1.00000
Bi2 Bi 0.42364 0.77151 0.38122 1.00000
Bi3 Bi 0.73117 0.70265 0.83501 1.00000
Bi4 Bi 0.26883 0.29735 0.16499 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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