Y8HgSb3Te4
Alexandria ALEXAlex-ID: agm004719081 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Y6HgTe5 Y2SbTe YHg
2023-02-05 20:49:00.344129
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004719081).
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 agm004719081
data_agm004719081
_cell_length_a 8.73858
_cell_length_b 8.77269
_cell_length_c 8.73861
_cell_angle_alpha 119.87204
_cell_angle_beta 119.99989
_cell_angle_gamma 90.00000
_cell_volume 474.61263
_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
Y1 Y 0.24357 0.73823 0.99465 1.00000
Y2 Y 0.24358 0.73823 0.48716 1.00000
Y3 Y 0.25413 0.26239 0.50827 1.00000
Y4 Y 0.75108 0.73823 0.99465 1.00000
Y5 Y 0.24892 0.26177 0.00535 1.00000
Y6 Y 0.74587 0.73761 0.49173 1.00000
Y7 Y 0.75642 0.26177 0.51284 1.00000
Y8 Y 0.75643 0.26177 0.00535 1.00000
Hg1 Hg 0.00000 0.50000 0.00000 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Sb2 Sb 0.50000 0.50000 0.50000 1.00000
Sb3 Sb 0.00000 0.50000 0.50000 1.00000
Te1 Te 0.50000 0.00000 0.00000 1.00000
Te2 Te 0.50000 0.00000 0.50000 1.00000
Te3 Te 0.00000 0.00000 0.00000 1.00000
Te4 Te 0.00000 0.00000 0.50000 1.00000
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