Ce5Mg3Rh
Alexandria ALEXAlex-ID: agm072531969 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1236_spg2
CeMgRh CeMg5Rh Ce
2024-09-24 14:12:21.640338
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072531969).
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 agm072531969
data_agm072531969
_cell_length_a 6.16376
_cell_length_b 6.16376
_cell_length_c 6.76412
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 113.94995
_cell_volume 234.85631
_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
Ce1 Ce 0.36358 0.63642 0.50000 1.00000
Ce2 Ce 0.92101 0.66988 0.78773 1.00000
Ce3 Ce 0.92101 0.66988 0.21227 1.00000
Ce4 Ce 0.33012 0.07899 0.21227 1.00000
Ce5 Ce 0.33012 0.07899 0.78773 1.00000
Mg1 Mg 0.88459 0.11541 0.50000 1.00000
Mg2 Mg 0.39143 0.60857 0.00000 1.00000
Mg3 Mg 0.85883 0.14117 0.00000 1.00000
Rh1 Rh 0.62956 0.37044 0.50000 1.00000
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