Li2BeCl4
Alexandria ALEXAlex-ID: agm095986119 · 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
AB2C4_153_spg166
Li2BeCl4
2025-04-10 21:15:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095986119).
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 agm095986119
data_agm095986119
_cell_length_a 4.00688
_cell_length_b 5.45517
_cell_length_c 8.56935
_cell_angle_alpha 88.80759
_cell_angle_beta 90.49646
_cell_angle_gamma 94.06697
_cell_volume 186.79384
_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 0.78834 0.09143 0.86525 1.00000
Li2 Li 0.29655 0.18451 0.49860 1.00000
Be1 Be 0.38666 0.99172 0.13471 1.00000
Cl1 Cl 0.26339 0.84498 0.93268 1.00000
Cl2 Cl 0.24715 0.84345 0.32919 1.00000
Cl3 Cl 0.80723 0.27318 0.62173 1.00000
Cl4 Cl 0.71069 0.27073 0.11784 1.00000
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