Mg2HgPd2
Alexandria ALEXAlex-ID: agm002932494 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_106_spg139
Hg MgPd
2023-03-26 05:09:42.020987
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002932494).
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 agm002932494
data_agm002932494
_cell_length_a 3.83673
_cell_length_b 3.83673
_cell_length_c 7.29122
_cell_angle_alpha 74.74557
_cell_angle_beta 74.74557
_cell_angle_gamma 90.00000
_cell_volume 99.62371
_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 0.38845 0.38845 0.22310 1.00000
Mg2 Mg 0.61155 0.61155 0.77690 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.75000 0.25000 0.50000 1.00000
Pd2 Pd 0.25000 0.75000 0.50000 1.00000
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