Ce(ScRh2)2
Alexandria ALEXAlex-ID: agm006016563 · 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
AB2C4_118_spg166
CeRh2 ScRh
2023-10-15 17:17:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006016563).
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 agm006016563
data_agm006016563
_cell_length_a 4.55720
_cell_length_b 4.55720
_cell_length_c 7.84908
_cell_angle_alpha 73.12404
_cell_angle_beta 73.12404
_cell_angle_gamma 60.00001
_cell_volume 133.00311
_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 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.76323 0.76323 0.71031 1.00000
Sc2 Sc 0.23677 0.23677 0.28969 1.00000
Rh1 Rh 0.87951 0.87951 0.36147 1.00000
Rh2 Rh 0.12049 0.12049 0.63853 1.00000
Rh3 Rh 0.62224 0.62224 0.13329 1.00000
Rh4 Rh 0.37776 0.37776 0.86671 1.00000
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