Th3Cd7Hg2
Alexandria ALEXAlex-ID: agm024432390 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
ThCd3 Th2Cd3Hg2 ThCd11
2025-05-15 18:59:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024432390).
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 agm024432390
data_agm024432390
_cell_length_a 10.14476
_cell_length_b 10.14476
_cell_length_c 10.14476
_cell_angle_alpha 34.57699
_cell_angle_beta 34.57699
_cell_angle_gamma 34.57699
_cell_volume 300.02523
_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
Th1 Th 0.00000 0.00000 0.00000 1.00000
Th2 Th 0.14178 0.14178 0.14178 1.00000
Th3 Th 0.85822 0.85822 0.85822 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
Cd2 Cd 0.07627 0.58892 0.58892 1.00000
Cd3 Cd 0.58892 0.58892 0.07627 1.00000
Cd4 Cd 0.58892 0.07627 0.58892 1.00000
Cd5 Cd 0.92373 0.41108 0.41108 1.00000
Cd6 Cd 0.41108 0.92373 0.41108 1.00000
Cd7 Cd 0.41108 0.41108 0.92373 1.00000
Hg1 Hg 0.33551 0.33551 0.33551 1.00000
Hg2 Hg 0.66449 0.66449 0.66449 1.00000
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