Pr2GaGePd6
Alexandria ALEXAlex-ID: agm004921902 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_393_spg12
PrGePd2 PrGe2Pd3 Pr4GaPd12 Pr(Ga2Pd3)2
2022-07-23 09:11:48.417135
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004921902).
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 agm004921902
data_agm004921902
_cell_length_a 6.56980
_cell_length_b 6.65902
_cell_length_c 8.54347
_cell_angle_alpha 49.32051
_cell_angle_beta 50.23652
_cell_angle_gamma 79.33998
_cell_volume 199.89707
_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 0.74866 0.25172 0.51745 1.00000
Pr2 Pr 0.25134 0.74828 0.48254 1.00000
Ga1 Ga 1.00000 1.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.22803 0.27200 0.49834 1.00000
Pd2 Pd 0.72807 0.77222 0.99816 1.00000
Pd3 Pd 0.24888 0.75126 0.84236 1.00000
Pd4 Pd 0.75112 0.24874 0.15765 1.00000
Pd5 Pd 0.27193 0.22778 0.00185 1.00000
Pd6 Pd 0.77197 0.72800 0.50167 1.00000
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