Pr2InBi
Alexandria ALEXAlex-ID: agm005758799 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_434_spg63
PrIn PrBi
2023-07-12 03:42:46.287709
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758799).
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 agm005758799
data_agm005758799
_cell_length_a 4.54804
_cell_length_b 4.72675
_cell_length_c 12.84592
_cell_angle_alpha 100.60159
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 271.44086
_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
Pr1 Pr 0.75000 0.68205 0.36409 1.00000
Pr2 Pr 0.25000 0.31795 0.63591 1.00000
Pr3 Pr 0.75000 0.93727 0.87455 1.00000
Pr4 Pr 0.25000 0.06273 0.12545 1.00000
In1 In 0.25000 0.45983 0.91966 1.00000
In2 In 0.75000 0.54017 0.08034 1.00000
Bi1 Bi 0.25000 0.18905 0.37811 1.00000
Bi2 Bi 0.75000 0.81095 0.62189 1.00000
Get direct link