Rb(PH)4
Alexandria ALEXAlex-ID: agm011138136 · 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
AB4C4_691_spg71
Rb3P11 PH3 Rb3P7
2024-02-19 12:52:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011138136).
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 agm011138136
data_agm011138136
_cell_length_a 4.27135
_cell_length_b 6.24146
_cell_length_c 6.84476
_cell_angle_alpha 110.74893
_cell_angle_beta 84.70631
_cell_angle_gamma 106.65421
_cell_volume 163.47559
_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
Rb1 Rb 0.50000 0.50000 0.50000 1.00000
P1 P 0.19740 0.91244 0.93343 1.00000
P2 P 0.80260 0.08756 0.06657 1.00000
P3 P 0.93021 0.32125 0.87605 1.00000
P4 P 0.06979 0.67875 0.12395 1.00000
H1 H 0.55792 0.00227 0.45484 1.00000
H2 H 0.39997 0.66802 0.13793 1.00000
H3 H 0.60003 0.33198 0.86207 1.00000
H4 H 0.44208 0.99773 0.54516 1.00000
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