Th6Fe2Hg
Alexandria ALEXAlex-ID: agm005707568 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_798_spg71
Th2FeHg Th6FeHg2 Th7Fe3
2023-07-07 01:45:29.283014
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707568).
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 agm005707568
data_agm005707568
_cell_length_a 8.56205
_cell_length_b 8.56204
_cell_length_c 8.56204
_cell_angle_alpha 105.08777
_cell_angle_beta 108.56220
_cell_angle_gamma 114.92093
_cell_volume 479.47173
_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
Th1 Th 0.52300 0.70145 0.82155 1.00000
Th2 Th 0.47700 0.29855 0.17845 1.00000
Th3 Th 0.12010 0.29855 0.82155 1.00000
Th4 Th 0.87990 0.70145 0.17845 1.00000
Th5 Th 0.79093 0.76944 0.56037 1.00000
Th6 Th 0.20907 0.23056 0.43963 1.00000
Th7 Th 0.20907 0.76944 0.97851 1.00000
Th8 Th 0.79093 0.23056 0.02149 1.00000
Th9 Th 0.69139 0.36339 0.67200 1.00000
Th10 Th 0.30861 0.63661 0.32800 1.00000
Th11 Th 0.30861 0.98060 0.67200 1.00000
Th12 Th 0.69139 0.01940 0.32800 1.00000
Fe1 Fe 0.50000 0.36790 0.86790 1.00000
Fe2 Fe 0.50000 0.63210 0.13210 1.00000
Fe3 Fe 0.65079 0.00000 0.65079 1.00000
Fe4 Fe 0.34921 1.00000 0.34921 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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