Sm4CuSe2Cl
Alexandria ALEXAlex-ID: agm004820522 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
Sm2Cl3 SmCu Sm6CuSe5 Sm
2022-07-13 13:30:13.311514
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004820522).
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 agm004820522
data_agm004820522
_cell_length_a 4.01954
_cell_length_b 7.27117
_cell_length_c 7.23775
_cell_angle_alpha 71.91244
_cell_angle_beta 89.99973
_cell_angle_gamma 89.99969
_cell_volume 201.08240
_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 0.75241 0.73712 1.00000
Sm2 Sm 1.00000 0.24759 0.26288 1.00000
Sm3 Sm 0.50000 0.73801 0.26355 1.00000
Sm4 Sm 0.50000 0.26199 0.73645 1.00000
Cu1 Cu 0.00000 0.49999 0.50000 1.00000
Se1 Se 0.00000 0.00000 1.00000 1.00000
Se2 Se 0.50000 0.00000 0.50000 1.00000
Cl1 Cl 0.50000 0.50000 1.00000 1.00000
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