Rb2NaPrBi2
Alexandria ALEXAlex-ID: agm050215769 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_31_spg72
Rb2NaBi PrBi
2025-01-21 05:07:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050215769).
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 agm050215769
data_agm050215769
_cell_length_a 7.77900
_cell_length_b 7.88931
_cell_length_c 10.29857
_cell_angle_alpha 112.42555
_cell_angle_beta 112.12630
_cell_angle_gamma 89.99029
_cell_volume 533.55466
_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 0.46331 0.67727 0.85587 1.00000
Rb2 Rb 0.53669 0.32273 0.14413 1.00000
Rb3 Rb 0.10800 0.82234 0.14337 1.00000
Rb4 Rb 0.89200 0.17766 0.85663 1.00000
Na1 Na 0.50001 0.75032 0.50004 1.00000
Na2 Na 0.49999 0.24968 0.49996 1.00000
Pr1 Pr 0.99998 0.75007 0.50006 1.00000
Pr2 Pr 0.00002 0.24993 0.49994 1.00000
Bi1 Bi 0.86782 0.60178 0.70464 1.00000
Bi2 Bi 0.33608 0.10200 0.70512 1.00000
Bi3 Bi 0.66392 0.89800 0.29488 1.00000
Bi4 Bi 0.13218 0.39822 0.29536 1.00000
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