RbPm2H7
Alexandria ALEXAlex-ID: agm006201832 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_422_spg1
PmH3 RbH
2023-12-02 07:47:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201832).
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 agm006201832
data_agm006201832
_cell_length_a 5.07430
_cell_length_b 3.87848
_cell_length_c 11.52853
_cell_angle_alpha 123.02178
_cell_angle_beta 76.82936
_cell_angle_gamma 131.51670
_cell_volume 139.19148
_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
H1 H 0.07290 0.00601 0.41118 1.00000
H2 H 0.80845 0.72338 0.57285 1.00000
H3 H 0.38666 0.38791 0.77758 1.00000
H4 H 0.13381 0.31506 0.21442 1.00000
H5 H 0.31752 0.86148 0.50125 1.00000
H6 H 0.61219 0.28612 0.21265 1.00000
H7 H 0.88974 0.41553 0.78614 1.00000
Rb1 Rb 0.99996 0.35121 0.99762 1.00000
Pm1 Pm 0.30258 0.60342 0.64880 1.00000
Pm2 Pm 0.70857 0.10726 0.34568 1.00000
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