Ho6Fe2Hg
Alexandria ALEXAlex-ID: agm005707578 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
Ho3Fe Ho10FeHg3 HoFe2
2023-07-07 02:02:10.932383
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707578).
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 agm005707578
data_agm005707578
_cell_length_a 8.32147
_cell_length_b 8.32147
_cell_length_c 8.32147
_cell_angle_alpha 107.21061
_cell_angle_beta 109.32732
_cell_angle_gamma 111.91007
_cell_volume 442.83671
_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
Ho1 Ho 0.51895 0.70730 0.81164 1.00000
Ho2 Ho 0.48105 0.29270 0.18836 1.00000
Ho3 Ho 0.10434 0.29270 0.81164 1.00000
Ho4 Ho 0.89566 0.70730 0.18836 1.00000
Ho5 Ho 0.78443 0.77699 0.56142 1.00000
Ho6 Ho 0.21557 0.22301 0.43858 1.00000
Ho7 Ho 0.21557 0.77699 0.99256 1.00000
Ho8 Ho 0.78443 0.22301 0.00744 1.00000
Ho9 Ho 0.70445 0.38989 0.68544 1.00000
Ho10 Ho 0.29555 0.61011 0.31456 1.00000
Ho11 Ho 0.29555 0.98098 0.68544 1.00000
Ho12 Ho 0.70445 0.01902 0.31456 1.00000
Fe1 Fe 0.50000 0.39104 0.89104 1.00000
Fe2 Fe 0.50000 0.60896 0.10896 1.00000
Fe3 Fe 0.61291 0.00000 0.61291 1.00000
Fe4 Fe 0.38709 1.00000 0.38709 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
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