Tc3Hg4
Alexandria ALEXAlex-ID: agm005488145 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_17_spg139
Hg Tc
2023-03-19 11:19:47.664258
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005488145).
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 agm005488145
data_agm005488145
_cell_length_a 15.21324
_cell_length_b 15.21324
_cell_length_c 15.21324
_cell_angle_alpha 168.81962
_cell_angle_beta 168.81962
_cell_angle_gamma 15.83673
_cell_volume 132.37118
_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
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Tc2 Tc 0.72597 0.72597 0.00000 1.00000
Tc3 Tc 0.27403 0.27403 0.00000 1.00000
Hg1 Hg 0.84667 0.84667 0.00000 1.00000
Hg2 Hg 0.56797 0.56797 0.00000 1.00000
Hg3 Hg 0.43203 0.43203 0.00000 1.00000
Hg4 Hg 0.15333 0.15333 0.00000 1.00000
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