Rb4PH3
Alexandria ALEXAlex-ID: agm011136898 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_1729_spg12
Rb2PH RbH
2024-02-19 12:41:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011136898).
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 agm011136898
data_agm011136898
_cell_length_a 5.86091
_cell_length_b 4.40022
_cell_length_c 9.98725
_cell_angle_alpha 89.89705
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 257.56370
_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 0.54258 0.41092 1.00000
Rb2 Rb 0.00000 0.04273 0.66900 1.00000
Rb3 Rb 0.50000 0.54250 0.86429 1.00000
Rb4 Rb 0.00000 0.55309 0.10944 1.00000
P1 P 0.50000 0.03250 0.14868 1.00000
H1 H 0.50000 0.04232 0.62477 1.00000
H2 H 0.50000 0.36122 0.14053 1.00000
H3 H 0.00000 0.54197 0.82004 1.00000
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