Li4Cd3In4
Alexandria ALEXAlex-ID: agm005694837 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_23_spg71
LiCd3 In LiIn
2023-06-29 20:46:51.400345
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694837).
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 agm005694837
data_agm005694837
_cell_length_a 3.16139
_cell_length_b 8.46065
_cell_length_c 9.88713
_cell_angle_alpha 115.32960
_cell_angle_beta 99.19961
_cell_angle_gamma 90.00000
_cell_volume 235.26216
_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 0.73637 0.23638 0.47274 1.00000
Li2 Li 0.26363 0.76362 0.52726 1.00000
Li3 Li 0.50000 0.79482 0.00000 1.00000
Li4 Li 0.50000 0.20518 1.00000 1.00000
Cd1 Cd 0.90678 0.90678 0.81356 1.00000
Cd2 Cd 0.09322 0.09322 0.18644 1.00000
Cd3 Cd 0.00000 0.50000 0.00000 1.00000
In1 In 0.65456 0.46587 0.30913 1.00000
In2 In 0.34543 0.15672 0.69085 1.00000
In3 In 0.34544 0.53413 0.69087 1.00000
In4 In 0.65457 0.84328 0.30915 1.00000
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