LaCe2SmIn4
Alexandria ALEXAlex-ID: agm020237657 · 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
ABC2D4_22_spg12
LaSmIn2 CeIn
2025-07-01 21:31:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020237657).
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 agm020237657
data_agm020237657
_cell_length_a 5.77194
_cell_length_b 5.77194
_cell_length_c 10.00961
_cell_angle_alpha 64.30570
_cell_angle_beta 115.69430
_cell_angle_gamma 128.60111
_cell_volume 228.45985
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.49919 0.50081 0.24743 1.00000
Ce2 Ce 0.50081 0.49919 0.75257 1.00000
Sm1 Sm 0.00000 0.00000 0.50000 1.00000
In1 In 0.25194 0.74806 0.37931 1.00000
In2 In 0.75200 0.24800 0.12990 1.00000
In3 In 0.74806 0.25194 0.62069 1.00000
In4 In 0.24800 0.75200 0.87010 1.00000
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