LaPr2Bi3
Alexandria ALEXAlex-ID: agm033497932 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_32_spg12
La3PrBi4 LaPr3Bi4
2024-08-25 00:06:47.694419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033497932).
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 agm033497932
data_agm033497932
_cell_length_a 10.42441
_cell_length_b 10.42441
_cell_length_c 9.32882
_cell_angle_alpha 77.06885
_cell_angle_beta 77.06885
_cell_angle_gamma 25.85683
_cell_volume 430.30785
_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
La1 La 0.83356 0.83356 0.83287 1.00000
La2 La 0.16644 0.16644 0.16713 1.00000
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.83326 0.83326 0.33384 1.00000
Pr3 Pr 0.16674 0.16674 0.66616 1.00000
Pr4 Pr 0.50000 0.50000 0.50000 1.00000
Bi1 Bi 0.33353 0.33353 0.58187 1.00000
Bi2 Bi 0.66607 0.66607 0.91542 1.00000
Bi3 Bi 0.66647 0.66647 0.41813 1.00000
Bi4 Bi 0.99940 0.99940 0.25038 1.00000
Bi5 Bi 0.00060 0.00060 0.74962 1.00000
Bi6 Bi 0.33393 0.33393 0.08458 1.00000
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