Sm3HgTe2
Alexandria ALEXAlex-ID: agm005651617 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
Sm5HgTe4 SmHg
2023-08-25 06:06:58.905348
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651617).
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 agm005651617
data_agm005651617
_cell_length_a 7.70390
_cell_length_b 7.70390
_cell_length_c 13.88500
_cell_angle_alpha 100.80275
_cell_angle_beta 100.80275
_cell_angle_gamma 108.92817
_cell_volume 737.87095
_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
Sm1 Sm 0.16738 0.67034 0.83287 1.00000
Sm2 Sm 0.66549 0.16253 0.83287 1.00000
Sm3 Sm 0.08262 0.07966 0.66713 1.00000
Sm4 Sm 0.58451 0.58747 0.66713 1.00000
Sm5 Sm 0.00342 0.50342 0.50000 1.00000
Sm6 Sm 0.49658 0.99658 0.50000 1.00000
Sm7 Sm 0.41253 0.41549 0.33287 1.00000
Sm8 Sm 0.92034 0.91738 0.33287 1.00000
Sm9 Sm 0.83747 0.33451 0.16713 1.00000
Sm10 Sm 0.32966 0.83262 0.16713 1.00000
Sm11 Sm 0.24658 0.24658 0.00000 1.00000
Sm12 Sm 0.75342 0.75342 1.00000 1.00000
Hg1 Hg 0.91650 0.91650 0.83301 1.00000
Hg2 Hg 0.33350 0.83350 0.66699 1.00000
Hg3 Hg 0.16650 0.66650 0.33301 1.00000
Hg4 Hg 0.08350 0.08350 0.16699 1.00000
Te1 Te 0.99859 0.49859 0.99718 1.00000
Te2 Te 0.41804 0.41804 0.83608 1.00000
Te3 Te 0.83196 0.33196 0.66392 1.00000
Te4 Te 0.25141 0.25141 0.50282 1.00000
Te5 Te 0.74859 0.74859 0.49718 1.00000
Te6 Te 0.66804 0.16804 0.33608 1.00000
Te7 Te 0.58196 0.58196 0.16392 1.00000
Te8 Te 0.50141 0.00141 0.00282 1.00000
