Rb(PH2)3
Alexandria ALEXAlex-ID: agm011138121 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_2459_spg1
RbPH2 PH3 Rb3P7
2024-02-19 12:59:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011138121).
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 agm011138121
data_agm011138121
_cell_length_a 4.65200
_cell_length_b 5.56586
_cell_length_c 7.54057
_cell_angle_alpha 110.02809
_cell_angle_beta 89.48471
_cell_angle_gamma 93.52758
_cell_volume 183.07320
_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 0.96610 0.02857 0.01159 1.00000
P1 P 0.30185 0.51124 0.71063 1.00000
P2 P 0.50619 0.47531 0.95716 1.00000
P3 P 0.13936 0.13587 0.50001 1.00000
H1 H 0.27713 0.58942 0.08063 1.00000
H2 H 0.80319 0.57087 0.28665 1.00000
H3 H 0.28542 0.95753 0.56020 1.00000
H4 H 0.88161 0.11154 0.59874 1.00000
H5 H 0.87059 0.55275 0.37191 1.00000
H6 H 0.55271 0.52223 0.60249 1.00000
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