Hg6TeF2
Alexandria ALEXAlex-ID: agm097822604 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6246_spg6
HgTe Hg TeF4
2025-04-06 22:54:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097822604).
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 agm097822604
data_agm097822604
_cell_length_a 4.60208
_cell_length_b 6.60087
_cell_length_c 9.11644
_cell_angle_alpha 76.25595
_cell_angle_beta 90.08468
_cell_angle_gamma 90.02381
_cell_volume 269.00687
_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
Hg1 Hg 0.27756 0.33161 0.90867 1.00000
Hg2 Hg 0.27958 0.61768 0.57615 1.00000
Hg3 Hg 0.27757 0.69721 0.25861 1.00000
Hg4 Hg 0.77813 0.24793 0.63954 1.00000
Hg5 Hg 0.77784 0.18505 0.29900 1.00000
Hg6 Hg 0.27706 0.90366 0.79385 1.00000
Te1 Te 0.77723 0.56561 0.11949 1.00000
F1 F 0.27685 0.06429 0.20744 1.00000
F2 F 0.77819 0.88696 0.44726 1.00000
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