Tl3Ga8Hg3
Alexandria ALEXAlex-ID: agm005687720 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_52_spg12
Hg Ga Tl4Hg3
2023-06-29 12:28:09.889174
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687720).
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 agm005687720
data_agm005687720
_cell_length_a 3.85186
_cell_length_b 9.04238
_cell_length_c 10.63087
_cell_angle_alpha 72.19203
_cell_angle_beta 79.56243
_cell_angle_gamma 77.70240
_cell_volume 341.75342
_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 0.28853 0.80043 0.62251 1.00000
Tl2 Tl 0.71147 0.19957 0.37749 1.00000
Tl3 Tl 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.10530 0.17748 0.61193 1.00000
Ga2 Ga 0.89470 0.82252 0.38807 1.00000
Ga3 Ga 0.85613 0.39686 0.89089 1.00000
Ga4 Ga 0.14387 0.60314 0.10911 1.00000
Ga5 Ga 0.53896 0.63921 0.28286 1.00000
Ga6 Ga 0.46104 0.36079 0.71714 1.00000
Ga7 Ga 0.39716 0.97057 0.23510 1.00000
Ga8 Ga 0.60284 0.02943 0.76490 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.69929 0.70865 0.89277 1.00000
Hg3 Hg 0.30071 0.29135 0.10723 1.00000
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