Er3(Hg2Au)2
Alexandria ALEXAlex-ID: agm005686805 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
Er3Hg3Au2 ErHg3 ErHgAu
2023-06-27 00:02:22.161697
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686805).
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 agm005686805
data_agm005686805
_cell_length_a 5.30197
_cell_length_b 9.07723
_cell_length_c 9.07723
_cell_angle_alpha 77.76514
_cell_angle_beta 82.08976
_cell_angle_gamma 82.08976
_cell_volume 420.21484
_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
Er1 Er 0.07855 0.96013 0.69786 1.00000
Er2 Er 0.42145 0.30214 0.03987 1.00000
Er3 Er 0.92145 0.03987 0.30214 1.00000
Er4 Er 0.57855 0.69786 0.96013 1.00000
Er5 Er 0.25000 0.38471 0.61529 1.00000
Er6 Er 0.75000 0.61529 0.38471 1.00000
Hg1 Hg 0.52495 0.07032 0.81671 1.00000
Hg2 Hg 0.97505 0.18329 0.92968 1.00000
Hg3 Hg 0.47505 0.92968 0.18329 1.00000
Hg4 Hg 0.02495 0.81671 0.07032 1.00000
Hg5 Hg 0.63341 0.83641 0.60042 1.00000
Hg6 Hg 0.86659 0.39958 0.16359 1.00000
Hg7 Hg 0.36659 0.16359 0.39958 1.00000
Hg8 Hg 0.13341 0.60042 0.83641 1.00000
Au1 Au 0.18801 0.73921 0.47848 1.00000
Au2 Au 0.31199 0.52152 0.26079 1.00000
Au3 Au 0.81199 0.26079 0.52152 1.00000
Au4 Au 0.68801 0.47848 0.73921 1.00000
Get direct link