Rb2PH7
Alexandria ALEXAlex-ID: agm011136877 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1664_spg1
RbPH10 RbPH2 RbH
2024-02-19 13:05:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011136877).
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 agm011136877
data_agm011136877
_cell_length_a 4.18494
_cell_length_b 5.35714
_cell_length_c 8.12137
_cell_angle_alpha 84.21816
_cell_angle_beta 77.88809
_cell_angle_gamma 74.66193
_cell_volume 171.48374
_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 0.77327 0.51680 0.17562 1.00000
Rb2 Rb 0.91962 0.61005 0.67930 1.00000
P1 P 0.38335 0.06651 0.43451 1.00000
H1 H 0.19138 0.97107 0.14761 1.00000
H2 H 0.21638 0.88850 0.07158 1.00000
H3 H 0.33622 0.57190 0.92400 1.00000
H4 H 0.85372 0.05553 0.89081 1.00000
H5 H 0.38295 0.09785 0.60843 1.00000
H6 H 0.02640 0.08584 0.46864 1.00000
H7 H 0.69095 0.16332 0.89736 1.00000
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