Ac2ZnGaPd4
Alexandria ALEXAlex-ID: agm041587239 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_41_spg42
AcZnPd2 AcGaPd2
2025-02-26 06:27:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041587239).
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 agm041587239
data_agm041587239
_cell_length_a 5.76886
_cell_length_b 5.76886
_cell_length_c 7.74658
_cell_angle_alpha 76.78613
_cell_angle_beta 103.21387
_cell_angle_gamma 134.51542
_cell_volume 178.09418
_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
Ac1 Ac 0.75028 0.24972 0.74878 1.00000
Ac2 Ac 0.24972 0.75028 0.25122 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.44019 0.55981 0.64860 1.00000
Pd2 Pd 0.93714 0.06286 0.14410 1.00000
Pd3 Pd 0.06286 0.93714 0.85590 1.00000
Pd4 Pd 0.55981 0.44019 0.35140 1.00000
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