Mg4ZnCd5
Alexandria ALEXAlex-ID: agm006114317 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_203_spg12
MgCd3 Mg4Zn7 MgCd
2023-10-11 10:32:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114317).
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 agm006114317
data_agm006114317
_cell_length_a 4.98058
_cell_length_b 6.11872
_cell_length_c 7.59553
_cell_angle_alpha 103.97360
_cell_angle_beta 109.13909
_cell_angle_gamma 89.99998
_cell_volume 211.41379
_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 0.69353 0.28699 0.38705 1.00000
Mg2 Mg 0.09460 0.91141 0.18920 1.00000
Mg3 Mg 0.30647 0.71301 0.61295 1.00000
Mg4 Mg 0.90540 0.08859 0.81080 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
Cd1 Cd 0.29937 0.19895 0.59874 1.00000
Cd2 Cd 0.10421 0.41325 0.20842 1.00000
Cd3 Cd 0.89579 0.58675 0.79158 1.00000
Cd4 Cd 0.50000 0.50000 0.00000 1.00000
Cd5 Cd 0.70063 0.80105 0.40126 1.00000
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