Gd3Pd4
Alexandria ALEXAlex-ID: agm075761402 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_9_spg220
Gd3Pd4
2025-01-10 01:15:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075761402).
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 agm075761402
data_agm075761402
_cell_length_a 7.97694
_cell_length_b 7.97694
_cell_length_c 7.97694
_cell_angle_alpha 114.35284
_cell_angle_beta 114.35284
_cell_angle_gamma 114.35284
_cell_volume 300.14540
_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
Gd1 Gd 0.02651 0.27765 0.40557 1.00000
Gd2 Gd 0.97349 0.72235 0.59443 1.00000
Gd3 Gd 0.27765 0.40557 0.02651 1.00000
Gd4 Gd 0.72235 0.59443 0.97349 1.00000
Gd5 Gd 0.40557 0.02651 0.27765 1.00000
Gd6 Gd 0.59443 0.97349 0.72235 1.00000
Pd1 Pd 0.44989 0.77394 0.93889 1.00000
Pd2 Pd 0.55011 0.22606 0.06111 1.00000
Pd3 Pd 0.77394 0.93889 0.44989 1.00000
Pd4 Pd 0.22606 0.06111 0.55011 1.00000
Pd5 Pd 0.93889 0.44989 0.77394 1.00000
Pd6 Pd 0.06111 0.55011 0.22606 1.00000
Pd7 Pd 0.00000 0.00000 0.00000 1.00000
Pd8 Pd 0.50000 0.50000 0.50000 1.00000
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