RbNa3P5
Alexandria ALEXAlex-ID: agm072490799 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_337_spg8
Rb3P7 Rb2P3 NaP
2024-09-24 15:10:02.404973
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072490799).
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 agm072490799
data_agm072490799
_cell_length_a 6.05699
_cell_length_b 6.04035
_cell_length_c 8.51948
_cell_angle_alpha 115.33550
_cell_angle_beta 100.68146
_cell_angle_gamma 107.99884
_cell_volume 248.97422
_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 0.67648 0.49170 0.86724 1.00000
Na1 Na 0.11260 0.31333 0.18614 1.00000
Na2 Na 0.57027 0.07080 0.38021 1.00000
Na3 Na 0.18992 0.72219 0.61670 1.00000
P1 P 0.04778 0.25790 0.65017 1.00000
P2 P 0.93883 0.01347 0.77598 1.00000
P3 P 0.74732 0.57740 0.29519 1.00000
P4 P 0.05094 0.97130 0.38180 1.00000
P5 P 0.60942 0.66605 0.52340 1.00000
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