Mg2Sc5CdAg2
Alexandria ALEXAlex-ID: agm005136202 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_49_spg127
MgSc3Cd2 Sc2Ag Mg2Sc3Cd MgScAg
2022-07-14 23:01:14.237553
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005136202).
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 agm005136202
data_agm005136202
_cell_length_a 3.52785
_cell_length_b 11.51664
_cell_length_c 11.51664
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 467.90977
_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 0.67910 0.17910 1.00000
Mg2 Mg 0.00000 0.32090 0.82090 1.00000
Mg3 Mg 0.00000 0.17910 0.32090 1.00000
Mg4 Mg 0.00000 0.82090 0.67910 1.00000
Sc1 Sc 0.50000 0.19954 0.05383 1.00000
Sc2 Sc 0.50000 0.80046 0.94617 1.00000
Sc3 Sc 0.50000 0.05383 0.80046 1.00000
Sc4 Sc 0.50000 0.69954 0.44617 1.00000
Sc5 Sc 0.50000 0.94617 0.19954 1.00000
Sc6 Sc 0.50000 0.30046 0.55383 1.00000
Sc7 Sc 0.50000 0.55383 0.69954 1.00000
Sc8 Sc 0.50000 0.44617 0.30046 1.00000
Sc9 Sc 0.50000 0.50000 0.00000 1.00000
Sc10 Sc 0.50000 0.00000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.00000 0.50000 0.50000 1.00000
Ag1 Ag 0.00000 0.13057 0.63057 1.00000
Ag2 Ag 0.00000 0.86943 0.36943 1.00000
Ag3 Ag 0.00000 0.63057 0.86943 1.00000
Ag4 Ag 0.00000 0.36943 0.13057 1.00000
Get direct link