Ce2H5Rh2
Alexandria ALEXAlex-ID: agm006343552 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_276_spg12
CeH3Rh Ce2H6Rh CeRh2
2024-02-24 15:08:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006343552).
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 agm006343552
data_agm006343552
_cell_length_a 3.75815
_cell_length_b 5.49987
_cell_length_c 5.09378
_cell_angle_alpha 87.61828
_cell_angle_beta 93.43358
_cell_angle_gamma 81.90622
_cell_volume 103.91580
_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 0.40646 0.75919 0.73840 1.00000
Ce2 Ce 0.59354 0.24081 0.26160 1.00000
H1 H 0.86187 0.85756 0.46869 1.00000
H2 H 0.13813 0.14244 0.53131 1.00000
H3 H 0.54747 0.31399 0.78117 1.00000
H4 H 0.45253 0.68601 0.21883 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.95315 0.67888 0.20402 1.00000
Rh2 Rh 0.04685 0.32112 0.79598 1.00000
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