Mg3Sc8
Alexandria ALEXAlex-ID: agm009692007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_235_spg71
MgSc2 Sc
2024-03-29 04:49:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009692007).
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 agm009692007
data_agm009692007
_cell_length_a 17.38627
_cell_length_b 17.38627
_cell_length_c 3.19372
_cell_angle_alpha 97.48303
_cell_angle_beta 97.48303
_cell_angle_gamma 16.07853
_cell_volume 265.05074
_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 0.63670 0.63670 0.34536 1.00000
Mg2 Mg 0.36330 0.36330 0.65464 1.00000
Mg3 Mg 0.00000 0.00000 0.50000 1.00000
Sc1 Sc 0.54486 0.54486 0.17893 1.00000
Sc2 Sc 0.45514 0.45514 0.82107 1.00000
Sc3 Sc 0.81150 0.81150 0.08584 1.00000
Sc4 Sc 0.18850 0.18850 0.91416 1.00000
Sc5 Sc 0.09127 0.09127 0.76994 1.00000
Sc6 Sc 0.27276 0.27276 0.53398 1.00000
Sc7 Sc 0.72724 0.72724 0.46602 1.00000
Sc8 Sc 0.90873 0.90873 0.23006 1.00000
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