Ba5PrBi5
Alexandria ALEXAlex-ID: agm003674364 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_0_spg12
Ba5Bi4 PrBi
2022-04-09 09:57:37.549951
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003674364).
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 agm003674364
data_agm003674364
_cell_length_a 7.00722
_cell_length_b 8.92824
_cell_length_c 9.71564
_cell_angle_alpha 106.47677
_cell_angle_beta 90.00000
_cell_angle_gamma 113.10509
_cell_volume 531.83129
_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
Ba1 Ba 0.68415 0.36830 0.32178 1.00000
Ba2 Ba 0.67352 0.34705 0.84678 1.00000
Ba3 Ba 0.00000 0.00000 0.50000 1.00000
Ba4 Ba 0.32648 0.65295 0.15322 1.00000
Ba5 Ba 0.31585 0.63170 0.67822 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.85132 0.70264 0.16063 1.00000
Bi2 Bi 0.84356 0.68711 0.67974 1.00000
Bi3 Bi 0.50000 0.00000 0.00000 1.00000
Bi4 Bi 0.15644 0.31289 0.32026 1.00000
Bi5 Bi 0.14868 0.29736 0.83937 1.00000
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