Ac3Hg3Pd2
Alexandria ALEXAlex-ID: agm003331663 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
Ac3(Hg2Pd)2 Ac2HgPd2 Ac3Hg4
2022-01-22 22:28:43.425491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003331663).
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 agm003331663
data_agm003331663
_cell_length_a 4.31211
_cell_length_b 6.14043
_cell_length_c 18.33076
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 110.55612
_cell_volume 454.46220
_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 0.92813 0.85626 0.39621 1.00000
Ac2 Ac 0.07187 0.14374 0.89621 1.00000
Ac3 Ac 0.92813 0.85626 0.10379 1.00000
Ac4 Ac 0.07187 0.14374 0.60379 1.00000
Ac5 Ac 0.66495 0.32989 0.25000 1.00000
Ac6 Ac 0.33505 0.67011 0.75000 1.00000
Hg1 Hg 0.64192 0.28383 0.46475 1.00000
Hg2 Hg 0.35808 0.71617 0.96475 1.00000
Hg3 Hg 0.64192 0.28383 0.03525 1.00000
Hg4 Hg 0.35808 0.71617 0.53525 1.00000
Hg5 Hg 0.38522 0.77044 0.25000 1.00000
Hg6 Hg 0.61478 0.22956 0.75000 1.00000
Pd1 Pd 0.77420 0.54840 0.87539 1.00000
Pd2 Pd 0.22580 0.45160 0.37539 1.00000
Pd3 Pd 0.77420 0.54840 0.62461 1.00000
Pd4 Pd 0.22580 0.45160 0.12461 1.00000
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