Li8Cd3
Alexandria ALEXAlex-ID: agm045397884 · 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
A3B8_114_spg12
Li2Cd Li3Cd
2025-01-04 11:49:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045397884).
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 agm045397884
data_agm045397884
_cell_length_a 7.80184
_cell_length_b 7.80184
_cell_length_c 6.32090
_cell_angle_alpha 77.47078
_cell_angle_beta 102.52922
_cell_angle_gamma 147.23417
_cell_volume 202.83350
_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 0.59458 0.40542 0.95532 1.00000
Li2 Li 0.31944 0.68056 0.59271 1.00000
Li3 Li 0.14004 0.85996 0.68391 1.00000
Li4 Li 0.04426 0.95574 0.23341 1.00000
Li5 Li 0.85996 0.14004 0.31609 1.00000
Li6 Li 0.68056 0.31944 0.40729 1.00000
Li7 Li 0.40542 0.59458 0.04468 1.00000
Li8 Li 0.95574 0.04426 0.76659 1.00000
Cd1 Cd 0.22374 0.77626 0.14327 1.00000
Cd2 Cd 0.77626 0.22374 0.85673 1.00000
Cd3 Cd 0.50000 0.50000 0.50000 1.00000
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