Sc4CuOsRu2
Alexandria ALEXAlex-ID: agm034451069 · 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
Sc5Os3 Sc3CuRu2 ScOs2
2025-07-01 10:39:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034451069).
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 agm034451069
data_agm034451069
_cell_length_a 7.84447
_cell_length_b 7.84447
_cell_length_c 7.84447
_cell_angle_alpha 33.94234
_cell_angle_beta 33.94234
_cell_angle_gamma 33.94234
_cell_volume 134.13320
_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
Sc1 Sc 0.62737 0.62737 0.62737 1.00000
Sc2 Sc 0.12341 0.12341 0.12341 1.00000
Sc3 Sc 0.87659 0.87659 0.87659 1.00000
Sc4 Sc 0.37263 0.37263 0.37263 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.24807 0.24807 0.24807 1.00000
Ru2 Ru 0.75193 0.75193 0.75193 1.00000
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