LiIn2CuPd4
Alexandria ALEXAlex-ID: agm036336892 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_43_spg5
InCuPd2 LiInPd2
2024-10-27 02:16:11.999834
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036336892).
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 agm036336892
data_agm036336892
_cell_length_a 7.74878
_cell_length_b 7.74878
_cell_length_c 7.74878
_cell_angle_alpha 33.71081
_cell_angle_beta 33.71081
_cell_angle_gamma 33.71081
_cell_volume 127.68552
_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 0.00000 0.00000 0.00000 1.00000
In1 In 0.74942 0.74942 0.74942 1.00000
In2 In 0.25058 0.25058 0.25058 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.37642 0.37642 0.37642 1.00000
Pd2 Pd 0.87457 0.87457 0.87457 1.00000
Pd3 Pd 0.12543 0.12543 0.12543 1.00000
Pd4 Pd 0.62358 0.62358 0.62358 1.00000
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