SmCuSi2Pd
Alexandria ALEXAlex-ID: agm005018564 · 空间群: I-4m2 (#119)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1563_spg119
Sm2CuSi4Pd3 Sm(CuSi)2
2022-07-05 03:15:41.652740
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005018564).
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 agm005018564
data_agm005018564
_cell_length_a 4.10595
_cell_length_b 4.10595
_cell_length_c 5.82619
_cell_angle_alpha 110.63235
_cell_angle_beta 110.63235
_cell_angle_gamma 90.00000
_cell_volume 85.15821
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.25000 0.75000 0.50000 1.00000
Si1 Si 0.61717 0.61717 0.23435 1.00000
Si2 Si 0.38283 0.38283 0.76565 1.00000
Pd1 Pd 0.75000 0.25000 0.50000 1.00000
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