Rb3Pa3VN8
Alexandria ALEXAlex-ID: agm004701552 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_25_spg166
RbVN2 RbN3 Pa7N12 Rb
2023-02-12 10:31:36.790785
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004701552).
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 agm004701552
data_agm004701552
_cell_length_a 6.88159
_cell_length_b 6.88561
_cell_length_c 7.85821
_cell_angle_alpha 116.00453
_cell_angle_beta 90.02077
_cell_angle_gamma 119.96865
_cell_volume 278.16645
_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 0.00000 0.00000 0.00000 1.00000
Rb2 Rb 0.00000 0.50000 0.00000 1.00000
Rb3 Rb 0.50000 0.50000 0.00000 1.00000
Pa1 Pa 0.50000 0.00000 0.50000 1.00000
Pa2 Pa 0.50000 0.50000 0.50000 1.00000
Pa3 Pa 0.00000 0.50000 0.50000 1.00000
V1 V 0.00000 0.00000 0.50000 1.00000
N1 N 0.28023 0.56046 0.34127 1.00000
N2 N 0.71977 0.43954 0.65873 1.00000
N3 N 0.79683 0.59348 0.35287 1.00000
N4 N 0.20317 0.40652 0.64713 1.00000
N5 N 0.79632 0.05530 0.35260 1.00000
N6 N 0.20368 0.94470 0.64740 1.00000
N7 N 0.25910 0.05538 0.35265 1.00000
N8 N 0.74090 0.94462 0.64735 1.00000
Get direct link