Pr4(FeB2)3
Alexandria ALEXAlex-ID: agm005266522 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C6_26_spg166
Pr(FeB)4 Pr2B5 Pr
2023-05-06 12:49:51.536658
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005266522).
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 agm005266522
data_agm005266522
_cell_length_a 8.23129
_cell_length_b 8.23129
_cell_length_c 8.23129
_cell_angle_alpha 38.43109
_cell_angle_beta 38.43109
_cell_angle_gamma 38.43109
_cell_volume 193.56989
_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 0.25693 0.25693 0.25693 1.00000
Pr2 Pr 0.74307 0.74307 0.74307 1.00000
Pr3 Pr 0.41079 0.41079 0.41079 1.00000
Pr4 Pr 0.58921 0.58921 0.58921 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Fe2 Fe 0.11689 0.11689 0.11689 1.00000
Fe3 Fe 0.88311 0.88311 0.88311 1.00000
B1 B 0.50000 0.16630 0.83370 1.00000
B2 B 0.16630 0.83370 0.50000 1.00000
B3 B 0.83370 0.50000 0.16630 1.00000
B4 B 0.83370 0.16630 0.50000 1.00000
B5 B 0.16630 0.50000 0.83370 1.00000
B6 B 0.50000 0.83370 0.16630 1.00000
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