PrBePd3
Alexandria ALEXAlex-ID: agm003720106 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1483_spg15
Pr2BePd6 PrBe2Pd3
2022-04-15 11:42:22.772770
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003720106).
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 agm003720106
data_agm003720106
_cell_length_a 5.60882
_cell_length_b 5.97419
_cell_length_c 5.97403
_cell_angle_alpha 119.99824
_cell_angle_beta 90.00001
_cell_angle_gamma 89.99993
_cell_volume 173.36306
_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 0.74999 0.66671 0.33336 1.00000
Pr2 Pr 0.25001 0.33329 0.66667 1.00000
Be1 Be 0.00000 0.00000 0.00000 1.00000
Be2 Be 0.50000 0.00000 0.00000 1.00000
Pd1 Pd 0.75001 0.65198 0.82598 1.00000
Pd2 Pd 0.24999 0.82594 0.65197 1.00000
Pd3 Pd 0.24999 0.34802 0.17402 1.00000
Pd4 Pd 0.75001 0.17406 0.34803 1.00000
Pd5 Pd 0.24999 0.82595 0.17400 1.00000
Pd6 Pd 0.75001 0.17405 0.82600 1.00000
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