Rb14Pa2O9
Alexandria ALEXAlex-ID: agm005583009 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9C14_24_spg2
Rb9O2 Rb3PaO4 Rb
2023-06-10 03:57:01.972025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005583009).
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 agm005583009
data_agm005583009
_cell_length_a 11.52501
_cell_length_b 10.35835
_cell_length_c 11.00320
_cell_angle_alpha 79.09319
_cell_angle_beta 93.96077
_cell_angle_gamma 123.13526
_cell_volume 1079.14241
_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 0.09097 0.78079 0.11895 1.00000
Rb2 Rb 0.30147 0.88394 0.51923 1.00000
Rb3 Rb 0.09640 0.39815 0.54765 1.00000
Rb4 Rb 0.01408 0.10110 0.21769 1.00000
Rb5 Rb 0.98592 0.89890 0.78231 1.00000
Rb6 Rb 0.27171 0.25237 0.94430 1.00000
Rb7 Rb 0.41880 0.86900 0.87071 1.00000
Rb8 Rb 0.42223 0.31368 0.44319 1.00000
Rb9 Rb 0.57777 0.68632 0.55681 1.00000
Rb10 Rb 0.58120 0.13100 0.12929 1.00000
Rb11 Rb 0.72829 0.74763 0.05570 1.00000
Rb12 Rb 0.90360 0.60185 0.45235 1.00000
Rb13 Rb 0.69853 0.11606 0.48077 1.00000
Rb14 Rb 0.90903 0.21921 0.88105 1.00000
Pa1 Pa 0.34554 0.69408 0.28376 1.00000
Pa2 Pa 0.65446 0.30592 0.71624 1.00000
O1 O 0.49157 0.88137 0.36701 1.00000
O2 O 0.16577 0.66001 0.35673 1.00000
O3 O 0.35284 0.82984 0.11896 1.00000
O4 O 0.00000 0.00000 0.00000 1.00000
O5 O 0.65353 0.47211 0.58226 1.00000
O6 O 0.34647 0.52789 0.41774 1.00000
O7 O 0.64716 0.17016 0.88104 1.00000
O8 O 0.83423 0.33999 0.64327 1.00000
O9 O 0.50843 0.11863 0.63299 1.00000
