CeSm(H3Rh)2
Alexandria ALEXAlex-ID: agm007709044 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_120_spg15
CeH3Rh SmH3Rh
2024-03-05 18:25:53.914978
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007709044).
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 agm007709044
data_agm007709044
_cell_length_a 6.08400
_cell_length_b 6.08400
_cell_length_c 6.47270
_cell_angle_alpha 77.49664
_cell_angle_beta 77.49664
_cell_angle_gamma 101.37312
_cell_volume 220.74363
_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 0.85107 0.14893 0.75000 1.00000
Ce2 Ce 0.14893 0.85107 0.25000 1.00000
Sm1 Sm 0.40693 0.59307 0.75000 1.00000
Sm2 Sm 0.59307 0.40693 0.25000 1.00000
H1 H 0.42913 0.92634 0.88875 1.00000
H2 H 0.07366 0.57087 0.61125 1.00000
H3 H 0.57087 0.07366 0.11125 1.00000
H4 H 0.92634 0.42913 0.38875 1.00000
H5 H 0.16572 0.20801 0.97161 1.00000
H6 H 0.79199 0.83428 0.52839 1.00000
H7 H 0.83428 0.79199 0.02839 1.00000
H8 H 0.20801 0.16572 0.47161 1.00000
H9 H 0.55100 0.30581 0.62383 1.00000
H10 H 0.69419 0.44900 0.87617 1.00000
H11 H 0.44900 0.69419 0.37617 1.00000
H12 H 0.30581 0.55100 0.12383 1.00000
Rh1 Rh 0.06531 0.31987 0.18720 1.00000
Rh2 Rh 0.68013 0.93469 0.31280 1.00000
Rh3 Rh 0.93469 0.68013 0.81280 1.00000
Rh4 Rh 0.31987 0.06531 0.68720 1.00000
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