Rb3Pr2BiSe6
Alexandria ALEXAlex-ID: agm033253238 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_598_spg1
RbPrSe2 RbBiSe2
2024-11-29 04:55:24.435997
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033253238).
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 agm033253238
data_agm033253238
_cell_length_a 10.46203
_cell_length_b 10.46203
_cell_length_c 9.50945
_cell_angle_alpha 71.10268
_cell_angle_beta 108.89732
_cell_angle_gamma 155.78986
_cell_volume 402.73956
_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 0.50000 0.50000 0.50000 1.00000
Rb2 Rb 0.16624 0.83376 0.83402 1.00000
Rb3 Rb 0.83376 0.16624 0.16598 1.00000
Pr1 Pr 0.16586 0.83414 0.33248 1.00000
Pr2 Pr 0.83414 0.16586 0.66752 1.00000
Bi1 Bi 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.65547 0.34453 0.10893 1.00000
Se2 Se 0.32283 0.67717 0.44267 1.00000
Se3 Se 0.34453 0.65547 0.89107 1.00000
Se4 Se 0.99002 0.00998 0.77765 1.00000
Se5 Se 0.00998 0.99002 0.22235 1.00000
Se6 Se 0.67717 0.32283 0.55733 1.00000
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