Al(H2Rh)4
Alexandria ALEXAlex-ID: agm097614460 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_156_spg12
H8Rh3 AlRh
2025-06-21 19:24:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097614460).
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 agm097614460
data_agm097614460
_cell_length_a 3.88072
_cell_length_b 5.64605
_cell_length_c 5.85131
_cell_angle_alpha 121.80148
_cell_angle_beta 91.16410
_cell_angle_gamma 69.22548
_cell_volume 99.61168
_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
Al1 Al 0.45473 0.85872 0.81339 1.00000
H1 H 0.30548 0.20613 0.26012 1.00000
H2 H 0.25315 0.21046 0.71871 1.00000
H3 H 0.74299 0.79097 0.18740 1.00000
H4 H 0.71376 0.33657 0.05257 1.00000
H5 H 0.21968 0.68663 0.98361 1.00000
H6 H 0.71211 0.34389 0.55584 1.00000
H7 H 0.86481 0.68584 0.47203 1.00000
H8 H 0.23889 0.79041 0.37406 1.00000
Rh1 Rh 0.83433 0.06297 0.16697 1.00000
Rh2 Rh 0.14482 0.48020 0.62426 1.00000
Rh3 Rh 0.14483 0.48444 0.12630 1.00000
Rh4 Rh 0.87044 0.06276 0.66474 1.00000
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