Mg2Sc
Alexandria ALEXAlex-ID: agm005444417 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_36_spg12
Mg3Sc MgSc
2023-03-21 11:10:36.388461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005444417).
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 agm005444417
data_agm005444417
_cell_length_a 5.95490
_cell_length_b 5.95490
_cell_length_c 5.95490
_cell_angle_alpha 103.25577
_cell_angle_beta 103.25577
_cell_angle_gamma 122.77921
_cell_volume 155.86196
_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 0.65417 0.84583 0.50000 1.00000
Mg2 Mg 0.34583 0.15417 0.50000 1.00000
Mg3 Mg 0.84583 0.34583 0.19167 1.00000
Mg4 Mg 0.15417 0.65417 0.80833 1.00000
Sc1 Sc 0.25000 0.25000 0.00000 1.00000
Sc2 Sc 0.75000 0.75000 0.00000 1.00000
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