Mg2(ZnPd)5
Alexandria ALEXAlex-ID: agm005652193 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_49_spg12
Zn3Pd MgZnPd2
2023-06-19 03:22:27.309327
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652193).
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 agm005652193
data_agm005652193
_cell_length_a 3.29297
_cell_length_b 9.05219
_cell_length_c 6.73511
_cell_angle_alpha 71.66856
_cell_angle_beta 75.84992
_cell_angle_gamma 79.52026
_cell_volume 183.58702
_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
Mg1 Mg 0.83697 0.51150 0.81455 1.00000
Mg2 Mg 0.16303 0.48850 0.18545 1.00000
Zn1 Zn 0.93446 0.74261 0.38847 1.00000
Zn2 Zn 0.24734 0.78543 0.71988 1.00000
Zn3 Zn 0.75266 0.21457 0.28012 1.00000
Zn4 Zn 0.06554 0.25739 0.61153 1.00000
Zn5 Zn 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.39970 0.25835 0.94225 1.00000
Pd3 Pd 0.34989 0.97743 0.32278 1.00000
Pd4 Pd 0.65011 0.02257 0.67722 1.00000
Pd5 Pd 0.60030 0.74165 0.05775 1.00000
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