Sm5Ho3Rh
Alexandria ALEXAlex-ID: agm072201307 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1183_spg44
Ho3Rh Sm
2024-09-24 20:15:46.456843
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072201307).
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 agm072201307
data_agm072201307
_cell_length_a 6.48740
_cell_length_b 6.48795
_cell_length_c 6.53756
_cell_angle_alpha 95.50539
_cell_angle_beta 94.95193
_cell_angle_gamma 95.56071
_cell_volume 271.33448
_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
Sm1 Sm 0.40595 0.91039 0.41144 1.00000
Sm2 Sm 0.08553 0.64797 0.99054 1.00000
Sm3 Sm 0.82774 0.22403 0.67987 1.00000
Sm4 Sm 0.01240 0.15176 0.18416 1.00000
Sm5 Sm 0.89532 0.71343 0.48596 1.00000
Ho1 Ho 0.58661 0.83751 0.91387 1.00000
Ho2 Ho 0.33281 0.41335 0.60365 1.00000
Ho3 Ho 0.51632 0.34255 0.10210 1.00000
Rh1 Rh 0.22036 0.04033 0.80157 1.00000
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