Pm2H7Rh
Alexandria ALEXAlex-ID: agm006206334 · 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
AB2C7_796_spg12
PmH3 PmH4Rh
2024-02-07 00:42:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006206334).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006206334
data_agm006206334
_cell_length_a 4.85540
_cell_length_b 4.85508
_cell_length_c 7.38592
_cell_angle_alpha 109.13776
_cell_angle_beta 70.87210
_cell_angle_gamma 119.96496
_cell_volume 139.61365
_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
H1 H 0.09904 0.74879 0.13840 1.00000
H2 H 0.84746 0.96271 0.85521 1.00000
H3 H 0.36633 0.48164 0.85536 1.00000
H4 H 0.09901 0.22999 0.13848 1.00000
H5 H 0.47323 0.85551 0.49685 1.00000
H6 H 0.58018 0.22989 0.13828 1.00000
H7 H 0.84745 0.48156 0.85514 1.00000
Pm1 Pm 0.36778 0.96116 0.81276 1.00000
Pm2 Pm 0.57869 0.75038 0.18092 1.00000
Rh1 Rh 0.97323 0.35575 0.99677 1.00000
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