Li4Cd5In2
Alexandria ALEXAlex-ID: agm005642006 · 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
A2B4C5_940_spg12
Li2CdIn LiCd3 LiIn
2023-06-22 01:09:21.584529
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642006).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005642006
data_agm005642006
_cell_length_a 4.76655
_cell_length_b 12.21611
_cell_length_c 4.88685
_cell_angle_alpha 68.57737
_cell_angle_beta 119.18896
_cell_angle_gamma 89.99998
_cell_volume 225.63487
_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 0.32665 0.27619 0.65331 1.00000
Li2 Li 0.94686 0.82289 0.89371 1.00000
Li3 Li 0.67335 0.72381 0.34669 1.00000
Li4 Li 0.05314 0.17711 0.10629 1.00000
Cd1 Cd 0.87917 0.43922 0.75834 1.00000
Cd2 Cd 0.12083 0.56078 0.24166 1.00000
Cd3 Cd 0.77974 0.08384 0.55948 1.00000
Cd4 Cd 0.50000 0.00000 0.00000 1.00000
Cd5 Cd 0.22026 0.91616 0.44052 1.00000
In1 In 0.61150 0.34767 0.22300 1.00000
In2 In 0.38850 0.65233 0.77700 1.00000
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