MgIn2Hg
Alexandria ALEXAlex-ID: agm005651300 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_52_spg139
In MgHg
2023-07-12 06:27:57.449046
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651300).
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 agm005651300
data_agm005651300
_cell_length_a 4.70577
_cell_length_b 4.70577
_cell_length_c 9.47960
_cell_angle_alpha 104.37130
_cell_angle_beta 104.37131
_cell_angle_gamma 90.00000
_cell_volume 196.56141
_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
Mg1 Mg 0.25000 0.75000 0.50000 1.00000
Mg2 Mg 0.75000 0.25000 0.50000 1.00000
In1 In 0.00000 0.50000 0.00000 1.00000
In2 In 0.50000 0.00000 0.00000 1.00000
In3 In 0.37144 0.37144 0.74287 1.00000
In4 In 0.62856 0.62856 0.25713 1.00000
Hg1 Hg 0.14365 0.14365 0.28729 1.00000
Hg2 Hg 0.85635 0.85635 0.71271 1.00000
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