Mg(Sc2Zn)2
Alexandria ALEXAlex-ID: agm006012575 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_564_spg166
MgSc3Zn2 Mg3Sc Sc2Zn
2023-10-13 19:34:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012575).
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 agm006012575
data_agm006012575
_cell_length_a 4.82978
_cell_length_b 4.82978
_cell_length_c 7.75264
_cell_angle_alpha 71.85080
_cell_angle_beta 71.85080
_cell_angle_gamma 60.00000
_cell_volume 146.13408
_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 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.85558 0.85558 0.43325 1.00000
Sc2 Sc 0.14442 0.14442 0.56675 1.00000
Sc3 Sc 0.59184 0.59184 0.22447 1.00000
Sc4 Sc 0.40816 0.40816 0.77553 1.00000
Zn1 Zn 0.72918 0.72918 0.81247 1.00000
Zn2 Zn 0.27082 0.27082 0.18753 1.00000
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