Mg3Sc6FeOs2
Alexandria ALEXAlex-ID: agm036492016 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_407_spg2
Mg2Sc3Os MgSc2Os Sc11Os4 ScFe2
2024-09-30 12:18:01.532941
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036492016).
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 agm036492016
data_agm036492016
_cell_length_a 7.20564
_cell_length_b 7.20564
_cell_length_c 8.98266
_cell_angle_alpha 61.21500
_cell_angle_beta 61.21500
_cell_angle_gamma 36.98309
_cell_volume 241.71498
_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 0.83330 0.83330 0.50075 1.00000
Mg2 Mg 0.16670 0.16670 0.49925 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Sc1 Sc 0.56521 0.56521 0.80423 1.00000
Sc2 Sc 0.76966 0.76966 0.19726 1.00000
Sc3 Sc 0.43479 0.43479 0.19577 1.00000
Sc4 Sc 0.90130 0.90130 0.80264 1.00000
Sc5 Sc 0.23034 0.23034 0.80274 1.00000
Sc6 Sc 0.09870 0.09870 0.19736 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.66624 0.66624 0.99984 1.00000
Os2 Os 0.33376 0.33376 0.00016 1.00000
Get direct link