P2H7Rh
Alexandria ALEXAlex-ID: agm006205167 · 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
AB2C7_1464_spg2
PH4 H2 PRh2
2023-11-30 08:35:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205167).
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 agm006205167
data_agm006205167
_cell_length_a 5.75711
_cell_length_b 6.39269
_cell_length_c 8.34306
_cell_angle_alpha 32.80525
_cell_angle_beta 41.06898
_cell_angle_gamma 59.30475
_cell_volume 102.53412
_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
P1 P 0.60918 0.36910 0.92756 1.00000
P2 P 0.39082 0.63090 0.07244 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.74461 0.83211 0.83466 1.00000
H3 H 0.75184 0.72045 0.50664 1.00000
H4 H 0.24816 0.27955 0.49336 1.00000
H5 H 0.76839 0.65190 0.20696 1.00000
H6 H 0.23161 0.34810 0.79304 1.00000
H7 H 0.25539 0.16789 0.16534 1.00000
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