Pr3Sb4Pd7
Alexandria ALEXAlex-ID: agm005704308 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
Pr3Sb4Pd7
2023-06-29 17:07:57.522428
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704308).
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 agm005704308
data_agm005704308
_cell_length_a 4.48000
_cell_length_b 8.65023
_cell_length_c 8.63223
_cell_angle_alpha 70.79958
_cell_angle_beta 74.96003
_cell_angle_gamma 74.99207
_cell_volume 299.51614
_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 0.32483 0.18522 0.16512 1.00000
Pr2 Pr 0.67517 0.81478 0.83488 1.00000
Pr3 Pr 0.00000 0.50000 0.50000 1.00000
Sb1 Sb 0.66712 0.45269 0.21307 1.00000
Sb2 Sb 0.33288 0.54731 0.78693 1.00000
Sb3 Sb 0.88543 0.89279 0.33635 1.00000
Sb4 Sb 0.11457 0.10721 0.66365 1.00000
Pd1 Pd 0.31147 0.83781 0.53925 1.00000
Pd2 Pd 0.49703 0.21633 0.78961 1.00000
Pd3 Pd 0.86127 0.37102 0.90643 1.00000
Pd4 Pd 0.68853 0.16219 0.46075 1.00000
Pd5 Pd 0.13873 0.62898 0.09357 1.00000
Pd6 Pd 0.00000 0.00000 0.00000 1.00000
Pd7 Pd 0.50297 0.78367 0.21039 1.00000
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