Y8TcHg2
Alexandria ALEXAlex-ID: agm005935002 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_280_spg71
Y3Tc Y2Hg Y
2023-10-01 21:28:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005935002).
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 agm005935002
data_agm005935002
_cell_length_a 5.09673
_cell_length_b 8.43392
_cell_length_c 8.59873
_cell_angle_alpha 119.36868
_cell_angle_beta 107.23944
_cell_angle_gamma 89.99999
_cell_volume 302.91891
_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
Y1 Y 0.64908 0.87896 0.29817 1.00000
Y2 Y 0.35091 0.58081 0.70182 1.00000
Y3 Y 0.12170 0.12169 0.24340 1.00000
Y4 Y 0.00001 0.33210 0.00001 1.00000
Y5 Y 0.87830 0.87831 0.75660 1.00000
Y6 Y 0.64909 0.41919 0.29818 1.00000
Y7 Y 0.35092 0.12104 0.70183 1.00000
Y8 Y 0.99999 0.66790 0.99999 1.00000
Tc1 Tc 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.20063 0.70064 0.40126 1.00000
Hg2 Hg 0.79937 0.29936 0.59874 1.00000
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