Mn2Hg3Pd7
Alexandria ALEXAlex-ID: agm005605965 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_200_spg69
HgPd Mn2HgPd5
2023-06-14 11:55:36.424599
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605965).
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 agm005605965
data_agm005605965
_cell_length_a 4.79786
_cell_length_b 4.79785
_cell_length_c 9.68069
_cell_angle_alpha 107.98003
_cell_angle_beta 107.96376
_cell_angle_gamma 75.87430
_cell_volume 198.88116
_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
Mn1 Mn 0.66721 0.66741 0.33418 1.00000
Mn2 Mn 0.33279 0.33259 0.66582 1.00000
Hg1 Hg 0.50000 0.50000 0.00000 1.00000
Hg2 Hg 0.16550 0.16579 0.33133 1.00000
Hg3 Hg 0.83450 0.83421 0.66867 1.00000
Pd1 Pd 0.74972 0.24994 0.49999 1.00000
Pd2 Pd 0.25028 0.75006 0.50001 1.00000
Pd3 Pd 0.08523 0.58535 0.17061 1.00000
Pd4 Pd 0.00000 0.00000 0.00000 1.00000
Pd5 Pd 0.91477 0.41465 0.82939 1.00000
Pd6 Pd 0.41494 0.91458 0.82941 1.00000
Pd7 Pd 0.58506 0.08542 0.17059 1.00000
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