CePr2Bi3
Alexandria ALEXAlex-ID: agm014284633 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_23_spg12
CePr2Bi3
2024-12-31 00:36:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014284633).
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 agm014284633
data_agm014284633
_cell_length_a 8.01535
_cell_length_b 8.01535
_cell_length_c 8.01963
_cell_angle_alpha 80.41019
_cell_angle_beta 99.58981
_cell_angle_gamma 60.00358
_cell_volume 420.72280
_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
Ce1 Ce 0.66711 0.66711 0.00000 1.00000
Ce2 Ce 0.33289 0.33289 0.00000 1.00000
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.83443 0.83443 0.50000 1.00000
Pr4 Pr 0.16557 0.16557 0.50000 1.00000
Bi1 Bi 0.74568 0.25432 0.24643 1.00000
Bi2 Bi 0.25432 0.74568 0.75357 1.00000
Bi3 Bi 0.08253 0.58138 0.24705 1.00000
Bi4 Bi 0.41862 0.91747 0.24705 1.00000
Bi5 Bi 0.58138 0.08253 0.75295 1.00000
Bi6 Bi 0.91747 0.41862 0.75295 1.00000
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