ScRe3
Alexandria ALEXAlex-ID: agm005493389 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_6_spg139
Sc5Re24 ScRe2
2023-03-19 04:17:03.281619
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005493389).
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 agm005493389
data_agm005493389
_cell_length_a 9.16735
_cell_length_b 9.16735
_cell_length_c 9.16735
_cell_angle_alpha 155.88447
_cell_angle_beta 155.88447
_cell_angle_gamma 34.36617
_cell_volume 128.47808
_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 0.37647 0.37647 0.00000 1.00000
Sc2 Sc 0.62353 0.62353 0.00000 1.00000
Re1 Re 0.50000 0.00000 0.50000 1.00000
Re2 Re 0.13146 0.13146 0.00000 1.00000
Re3 Re 0.86854 0.86854 0.00000 1.00000
Re4 Re 0.75000 0.25000 0.50000 1.00000
Re5 Re 0.25000 0.75000 0.50000 1.00000
Re6 Re 0.00000 0.50000 0.50000 1.00000
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