Rb4PH6
Alexandria ALEXAlex-ID: agm011136826 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_809_spg8
RbPH2 RbPH10 RbH
2024-02-19 18:18:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011136826).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm011136826
data_agm011136826
_cell_length_a 8.64885
_cell_length_b 8.64885
_cell_length_c 7.71327
_cell_angle_alpha 69.58794
_cell_angle_beta 69.58794
_cell_angle_gamma 29.93558
_cell_volume 268.50599
_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 0.37877 0.37877 0.26306 1.00000
Rb2 Rb 0.65759 0.65759 0.47747 1.00000
Rb3 Rb 0.93686 0.93686 0.78538 1.00000
Rb4 Rb 0.66678 0.66678 0.94852 1.00000
P1 P 0.03738 0.03738 0.31079 1.00000
H1 H 0.80118 0.80118 0.13528 1.00000
H2 H 0.22859 0.22859 0.63170 1.00000
H3 H 0.51660 0.51660 0.85276 1.00000
H4 H 0.29323 0.29323 0.81392 1.00000
H5 H 0.02529 0.02529 0.13475 1.00000
H6 H 0.30547 0.30547 0.90143 1.00000
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