Mg3Cd2
Alexandria ALEXAlex-ID: agm005217536 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_884_spg166
Mg2Cd MgCd
2022-09-22 10:30:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005217536).
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
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# CIF generated by HEAS from Alexandria entry agm005217536
data_agm005217536
_cell_length_a 6.13555
_cell_length_b 6.13555
_cell_length_c 8.09912
_cell_angle_alpha 67.74193
_cell_angle_beta 67.74193
_cell_angle_gamma 60.00000
_cell_volume 237.44854
_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 0.25005 0.75000 0.75000 1.00000
Mg2 Mg 0.75000 0.24995 0.75000 1.00000
Mg3 Mg 0.24995 0.25005 0.75000 1.00000
Mg4 Mg 0.25000 0.75005 0.25000 1.00000
Mg5 Mg 0.75005 0.74995 0.25000 1.00000
Mg6 Mg 0.74995 0.25000 0.25000 1.00000
Cd1 Cd 0.81274 0.81274 0.56178 1.00000
Cd2 Cd 0.31274 0.31274 0.06178 1.00000
Cd3 Cd 0.18726 0.18726 0.43822 1.00000
Cd4 Cd 0.68726 0.68726 0.93822 1.00000
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