Mg6ZnGa12
Alexandria ALEXAlex-ID: agm006098544 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_24_spg148
Mg4Zn7 Mg2Ga5 MgGa
2023-08-26 00:12:15.089567
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006098544).
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 agm006098544
data_agm006098544
_cell_length_a 7.18529
_cell_length_b 7.18529
_cell_length_c 7.18529
_cell_angle_alpha 94.20017
_cell_angle_beta 94.20014
_cell_angle_gamma 94.20017
_cell_volume 367.82048
_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 0.28746 0.12488 0.73858 1.00000
Mg2 Mg 0.87512 0.26142 0.71254 1.00000
Mg3 Mg 0.26142 0.71254 0.87512 1.00000
Mg4 Mg 0.71254 0.87512 0.26142 1.00000
Mg5 Mg 0.12488 0.73858 0.28746 1.00000
Mg6 Mg 0.73858 0.28746 0.12488 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.53644 0.20824 0.45710 1.00000
Ga2 Ga 0.20824 0.45710 0.53644 1.00000
Ga3 Ga 0.45710 0.53644 0.20824 1.00000
Ga4 Ga 0.46356 0.79176 0.54290 1.00000
Ga5 Ga 0.79176 0.54290 0.46356 1.00000
Ga6 Ga 0.54290 0.46356 0.79176 1.00000
Ga7 Ga 0.95304 0.86542 0.63068 1.00000
Ga8 Ga 0.36932 0.04696 0.13458 1.00000
Ga9 Ga 0.13458 0.36932 0.04696 1.00000
Ga10 Ga 0.04696 0.13458 0.36932 1.00000
Ga11 Ga 0.63068 0.95304 0.86542 1.00000
Ga12 Ga 0.86542 0.63068 0.95304 1.00000
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