Li3MgBi3
Alexandria ALEXAlex-ID: agm003545348 · 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
AB3C3_301_spg12
LiMgBi LiBi
2022-03-25 11:15:34.598973
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545348).
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 agm003545348
data_agm003545348
_cell_length_a 8.29968
_cell_length_b 8.29968
_cell_length_c 7.21458
_cell_angle_alpha 105.00657
_cell_angle_beta 105.00657
_cell_angle_gamma 118.25058
_cell_volume 377.96293
_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 0.55023 0.55023 0.31916 1.00000
Li2 Li 0.12083 0.87917 0.50000 1.00000
Li3 Li 0.87917 0.12083 0.50000 1.00000
Li4 Li 0.33548 0.66452 0.00000 1.00000
Li5 Li 0.66452 0.33548 0.00000 1.00000
Li6 Li 0.44977 0.44977 0.68084 1.00000
Mg1 Mg 0.85710 0.85710 0.76442 1.00000
Mg2 Mg 0.14290 0.14290 0.23558 1.00000
Bi1 Bi 0.76416 0.76416 0.11241 1.00000
Bi2 Bi 0.89698 0.51679 0.65671 1.00000
Bi3 Bi 0.51679 0.89698 0.65671 1.00000
Bi4 Bi 0.10302 0.48321 0.34329 1.00000
Bi5 Bi 0.48321 0.10302 0.34329 1.00000
Bi6 Bi 0.23584 0.23584 0.88759 1.00000
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