TlHg3Pd2
Alexandria ALEXAlex-ID: agm005689110 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_73_spg63
Tl2Pd3 Hg2Pd Hg
2023-08-24 02:52:47.038098
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689110).
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 agm005689110
data_agm005689110
_cell_length_a 5.75704
_cell_length_b 6.76189
_cell_length_c 6.76189
_cell_angle_alpha 91.15773
_cell_angle_beta 89.98214
_cell_angle_gamma 89.98214
_cell_volume 263.17605
_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 0.24999 0.40194 0.40194 1.00000
Tl2 Tl 0.75001 0.59806 0.59806 1.00000
Hg1 Hg 0.75007 0.41867 0.08334 1.00000
Hg2 Hg 0.75007 0.08334 0.41867 1.00000
Hg3 Hg 0.24993 0.58133 0.91666 1.00000
Hg4 Hg 0.75011 0.93822 0.93822 1.00000
Hg5 Hg 0.24989 0.06178 0.06178 1.00000
Hg6 Hg 0.24993 0.91666 0.58133 1.00000
Pd1 Pd 0.50000 0.74680 0.25320 1.00000
Pd2 Pd 0.00000 0.74671 0.25329 1.00000
Pd3 Pd 1.00000 0.25329 0.74671 1.00000
Pd4 Pd 0.50000 0.25320 0.74680 1.00000
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