TlInHg3Pb
Alexandria ALEXAlex-ID: agm005029092 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_572_spg15
Hg In TlPb
2022-07-05 21:00:17.748275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005029092).
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 agm005029092
data_agm005029092
_cell_length_a 6.86847
_cell_length_b 6.93209
_cell_length_c 9.55835
_cell_angle_alpha 68.73884
_cell_angle_beta 78.39211
_cell_angle_gamma 56.29708
_cell_volume 352.84061
_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 0.25000 0.24511 0.50979 1.00000
Tl2 Tl 0.75000 0.75489 0.49021 1.00000
In1 In 0.75000 0.06819 0.86361 1.00000
In2 In 0.25000 0.93181 0.13639 1.00000
Hg1 Hg 0.51467 0.82699 0.83798 1.00000
Hg2 Hg 0.98533 0.33503 0.83798 1.00000
Hg3 Hg 0.75000 0.23537 0.52927 1.00000
Hg4 Hg 0.48533 0.17301 0.16202 1.00000
Hg5 Hg 0.01467 0.66497 0.16202 1.00000
Hg6 Hg 0.25000 0.76463 0.47073 1.00000
Pb1 Pb 0.25000 0.59090 0.81820 1.00000
Pb2 Pb 0.75000 0.40910 0.18180 1.00000
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