Y2In3Hg4
Alexandria ALEXAlex-ID: agm005667097 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
YIn2Hg YHg3 Hg
2023-06-29 06:35:22.017732
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667097).
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 agm005667097
data_agm005667097
_cell_length_a 5.13917
_cell_length_b 5.13691
_cell_length_c 10.37708
_cell_angle_alpha 96.12842
_cell_angle_beta 96.10219
_cell_angle_gamma 55.83634
_cell_volume 225.02219
_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 0.32861 0.32823 0.78205 1.00000
Y2 Y 0.67139 0.67177 0.21795 1.00000
In1 In 0.33468 0.33479 0.43754 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
In3 In 0.66532 0.66521 0.56246 1.00000
Hg1 Hg 0.66315 0.66281 0.89440 1.00000
Hg2 Hg 0.00394 0.00423 0.33313 1.00000
Hg3 Hg 0.99606 0.99577 0.66687 1.00000
Hg4 Hg 0.33685 0.33719 0.10560 1.00000
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