RbP4H7
Alexandria ALEXAlex-ID: agm007335585 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_862_spg1
RbPH2 PH3 Rb3P7
2024-02-09 12:54:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007335585).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007335585
data_agm007335585
_cell_length_a 5.05932
_cell_length_b 6.64769
_cell_length_c 8.67718
_cell_angle_alpha 76.51643
_cell_angle_beta 103.06398
_cell_angle_gamma 127.08120
_cell_volume 225.02786
_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 0.33123 0.29112 0.11747 1.00000
P1 P 0.56334 0.37774 0.71538 1.00000
P2 P 0.17553 0.69252 0.20514 1.00000
P3 P 0.58954 0.85479 0.39381 1.00000
P4 P 0.65051 0.07930 0.81256 1.00000
H1 H 0.82719 0.83507 0.34610 1.00000
H2 H 0.58909 0.97379 0.67130 1.00000
H3 H 0.32565 0.89164 0.86199 1.00000
H4 H 0.77879 0.12413 0.34037 1.00000
H5 H 0.36003 0.28542 0.56998 1.00000
H6 H 0.86726 0.54635 0.64408 1.00000
H7 H 0.94184 0.54812 0.32182 1.00000
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