La2Sm3Os4
Alexandria ALEXAlex-ID: agm012314014 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_32_spg12
La7Os3 Sm5Os2 SmOs2
2024-07-10 07:15:55.239860
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012314014).
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 agm012314014
data_agm012314014
_cell_length_a 5.84729
_cell_length_b 5.84729
_cell_length_c 9.68058
_cell_angle_alpha 93.21656
_cell_angle_beta 93.21656
_cell_angle_gamma 44.10285
_cell_volume 229.92713
_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 0.99451 0.99451 0.32721 1.00000
La2 La 0.71220 0.71220 0.86657 1.00000
Sm1 Sm 0.02340 0.02340 0.71718 1.00000
Sm2 Sm 0.42342 0.42342 0.04194 1.00000
Sm3 Sm 0.73491 0.73491 0.50281 1.00000
Os1 Os 0.71024 0.71024 0.17547 1.00000
Os2 Os 0.32957 0.32957 0.72850 1.00000
Os3 Os 0.47066 0.47066 0.53438 1.00000
Os4 Os 0.14988 0.14988 0.09121 1.00000
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