Cs2LiMn
Alexandria ALEXAlex-ID: agm005490088 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_317_spg122
Cs Li Mn
2023-03-19 01:09:36.219360
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005490088).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005490088
data_agm005490088
_cell_length_a 10.35287
_cell_length_b 10.35287
_cell_length_c 10.35287
_cell_angle_alpha 93.92483
_cell_angle_beta 93.92483
_cell_angle_gamma 149.66698
_cell_volume 540.87806
_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
Cs1 Cs 0.04214 0.37500 0.16714 1.00000
Cs2 Cs 0.20786 0.87500 0.83286 1.00000
Cs3 Cs 0.12500 0.95786 0.33286 1.00000
Cs4 Cs 0.62500 0.79214 0.66714 1.00000
Li1 Li 0.50000 0.50000 0.00000 1.00000
Li2 Li 0.75000 0.25000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.25000 0.75000 0.50000 1.00000
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