Mg2GaHg4
Alexandria ALEXAlex-ID: agm005841014 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_444_spg5
Mg2Ga5 Hg MgHg
2023-10-13 18:36:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005841014).
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 agm005841014
data_agm005841014
_cell_length_a 6.00745
_cell_length_b 6.00744
_cell_length_c 6.00744
_cell_angle_alpha 112.80971
_cell_angle_beta 107.82822
_cell_angle_gamma 107.82822
_cell_volume 166.46894
_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 0.50000 0.50000 0.00000 1.00000
Mg2 Mg 0.50000 0.00000 0.50000 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
Hg2 Hg 0.50000 0.50000 0.50000 1.00000
Hg3 Hg 0.00000 0.00000 0.50000 1.00000
Hg4 Hg 0.00000 0.50000 0.00000 1.00000
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