Y3HgTe2
Alexandria ALEXAlex-ID: agm005643380 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Y6HgTe5 YHg
2023-08-25 09:24:12.089185
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643380).
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 agm005643380
data_agm005643380
_cell_length_a 7.58566
_cell_length_b 7.58566
_cell_length_c 13.59943
_cell_angle_alpha 100.94071
_cell_angle_beta 100.94071
_cell_angle_gamma 108.63176
_cell_volume 701.18158
_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 0.16635 0.67311 0.83111 1.00000
Y2 Y 0.66476 0.15800 0.83111 1.00000
Y3 Y 0.08365 0.07689 0.66889 1.00000
Y4 Y 0.58524 0.59200 0.66889 1.00000
Y5 Y 0.00744 0.50744 0.50000 1.00000
Y6 Y 0.49256 0.99256 0.50000 1.00000
Y7 Y 0.40800 0.41476 0.33111 1.00000
Y8 Y 0.92311 0.91635 0.33111 1.00000
Y9 Y 0.84200 0.33524 0.16889 1.00000
Y10 Y 0.32689 0.83365 0.16889 1.00000
Y11 Y 0.24256 0.24256 1.00000 1.00000
Y12 Y 0.75744 0.75744 0.00000 1.00000
Hg1 Hg 0.91659 0.91659 0.83318 1.00000
Hg2 Hg 0.33341 0.83341 0.66682 1.00000
Hg3 Hg 0.16659 0.66659 0.33318 1.00000
Hg4 Hg 0.08341 0.08341 0.16682 1.00000
Te1 Te 0.99802 0.49802 0.99604 1.00000
Te2 Te 0.41853 0.41853 0.83706 1.00000
Te3 Te 0.83147 0.33147 0.66294 1.00000
Te4 Te 0.25198 0.25198 0.50396 1.00000
Te5 Te 0.74802 0.74802 0.49604 1.00000
Te6 Te 0.66853 0.16853 0.33706 1.00000
Te7 Te 0.58147 0.58147 0.16294 1.00000
Te8 Te 0.50198 0.00198 0.00396 1.00000
