Tl7CdHg5
Alexandria ALEXAlex-ID: agm006084019 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_110_spg44
Tl4Cd3Hg4 Tl Tl4Hg3
2023-08-07 18:26:45.400577
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006084019).
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 agm006084019
data_agm006084019
_cell_length_a 5.19881
_cell_length_b 9.07267
_cell_length_c 9.07267
_cell_angle_alpha 98.65783
_cell_angle_beta 73.93236
_cell_angle_gamma 73.93236
_cell_volume 383.00947
_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
Tl1 Tl 0.69665 0.38585 0.38585 1.00000
Tl2 Tl 0.38362 0.69257 0.69257 1.00000
Tl3 Tl 0.03366 0.42188 0.66877 1.00000
Tl4 Tl 0.03366 0.66877 0.42188 1.00000
Tl5 Tl 0.39373 0.18308 0.18308 1.00000
Tl6 Tl 0.61748 0.73991 0.17452 1.00000
Tl7 Tl 0.61748 0.17452 0.73991 1.00000
Cd1 Cd 0.09194 0.98989 0.98989 1.00000
Hg1 Hg 0.29663 0.00940 0.54543 1.00000
Hg2 Hg 0.90505 0.00036 0.33644 1.00000
Hg3 Hg 0.29663 0.54543 0.00940 1.00000
Hg4 Hg 0.90505 0.33644 0.00036 1.00000
Hg5 Hg 0.72841 0.85191 0.85191 1.00000
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