Pr3(BiAu)2
Alexandria ALEXAlex-ID: agm009071190 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_22_spg12
PrAu2 PrBi
2024-06-01 08:10:24.804051
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009071190).
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 agm009071190
data_agm009071190
_cell_length_a 6.37489
_cell_length_b 6.37489
_cell_length_c 7.74756
_cell_angle_alpha 79.83792
_cell_angle_beta 79.83792
_cell_angle_gamma 40.33476
_cell_volume 200.15867
_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 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.63253 0.63253 0.56620 1.00000
Pr3 Pr 0.36747 0.36747 0.43380 1.00000
Bi1 Bi 0.88903 0.88903 0.74846 1.00000
Bi2 Bi 0.11097 0.11097 0.25154 1.00000
Au1 Au 0.81021 0.81021 0.17485 1.00000
Au2 Au 0.18979 0.18979 0.82515 1.00000
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