HgTe2H7
Alexandria ALEXAlex-ID: agm006200212 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_551_spg2
TeH2 HgTe HgH4
2023-12-14 00:31:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200212).
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 agm006200212
data_agm006200212
_cell_length_a 8.66697
_cell_length_b 6.85840
_cell_length_c 6.97212
_cell_angle_alpha 134.88706
_cell_angle_beta 31.88076
_cell_angle_gamma 125.46333
_cell_volume 154.87800
_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
H1 H 0.16009 0.69445 0.00392 1.00000
H2 H 0.77451 0.00412 0.98439 1.00000
H3 H 0.22286 0.23919 0.80653 1.00000
H4 H 0.05296 0.15941 0.29338 1.00000
H5 H 0.46131 0.86467 0.53068 1.00000
H6 H 0.71323 0.46039 0.18220 1.00000
H7 H 0.90756 0.58501 0.72525 1.00000
Te1 Te 0.37240 0.03934 0.96946 1.00000
Te2 Te 0.60338 0.65449 0.96424 1.00000
Hg1 Hg 0.96409 0.35632 0.00810 1.00000
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