Mg6CdGa5
Alexandria ALEXAlex-ID: agm003676096 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_52_spg12
MgCd MgGa
2022-04-09 23:29:14.950723
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676096).
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 agm003676096
data_agm003676096
_cell_length_a 9.45524
_cell_length_b 5.51347
_cell_length_c 5.48100
_cell_angle_alpha 59.80388
_cell_angle_beta 84.18701
_cell_angle_gamma 78.38286
_cell_volume 241.90085
_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 0.75046 0.08388 0.33803 1.00000
Mg2 Mg 0.24954 0.57809 0.33803 1.00000
Mg3 Mg 0.24866 0.25540 1.00000 1.00000
Mg4 Mg 0.75134 0.74460 0.00000 1.00000
Mg5 Mg 0.75046 0.42191 0.66197 1.00000
Mg6 Mg 0.24954 0.91612 0.66197 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.50000 0.16623 0.66754 1.00000
Ga2 Ga 0.00000 0.33319 0.33362 1.00000
Ga3 Ga 0.50000 0.50000 0.00000 1.00000
Ga4 Ga 1.00000 0.66681 0.66638 1.00000
Ga5 Ga 0.50000 0.83377 0.33246 1.00000
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