Zr3(GaPd2)2
Alexandria ALEXAlex-ID: agm002276249 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_35_spg12
ZrGaPd Zr7Pd10 ZrPd3
2019-01-05 23:08:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002276249).
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 agm002276249
data_agm002276249
_cell_length_a 4.65124
_cell_length_b 4.63028
_cell_length_c 8.52002
_cell_angle_alpha 94.48267
_cell_angle_beta 90.25985
_cell_angle_gamma 120.04851
_cell_volume 158.14191
_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
Ga1 Ga 0.68283 0.36405 0.76993 1.00000
Ga2 Ga 0.31717 0.63595 0.23007 1.00000
Zr1 Zr 0.65810 0.31728 0.41345 1.00000
Zr2 Zr 0.00000 0.00000 0.00000 1.00000
Zr3 Zr 0.34190 0.68272 0.58655 1.00000
Pd1 Pd 0.32301 0.64659 0.91867 1.00000
Pd2 Pd 0.98619 0.97344 0.33368 1.00000
Pd3 Pd 0.01381 0.02656 0.66632 1.00000
Pd4 Pd 0.67699 0.35341 0.08133 1.00000
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