Sc10Zn3Fe
Alexandria ALEXAlex-ID: agm022697211 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C10_10_spg194
Sc10Zn3Fe
2025-01-29 07:38:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022697211).
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 agm022697211
data_agm022697211
_cell_length_a 8.68759
_cell_length_b 8.68759
_cell_length_c 8.91466
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 582.68486
_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
Sc1 Sc 0.00000 0.00000 0.50000 1.00000
Sc2 Sc 0.00000 0.00000 0.00000 1.00000
Sc3 Sc 0.54114 0.45886 0.25000 1.00000
Sc4 Sc 0.54114 0.08227 0.25000 1.00000
Sc5 Sc 0.91773 0.45886 0.25000 1.00000
Sc6 Sc 0.45886 0.54114 0.75000 1.00000
Sc7 Sc 0.45886 0.91773 0.75000 1.00000
Sc8 Sc 0.08227 0.54114 0.75000 1.00000
Sc9 Sc 0.20961 0.79039 0.43869 1.00000
Sc10 Sc 0.20961 0.41921 0.43869 1.00000
Sc11 Sc 0.58079 0.79039 0.43869 1.00000
Sc12 Sc 0.79039 0.20961 0.56131 1.00000
Sc13 Sc 0.79039 0.58079 0.56131 1.00000
Sc14 Sc 0.41921 0.20961 0.56131 1.00000
Sc15 Sc 0.79039 0.20961 0.93869 1.00000
Sc16 Sc 0.79039 0.58079 0.93869 1.00000
Sc17 Sc 0.41921 0.20961 0.93869 1.00000
Sc18 Sc 0.20961 0.79039 0.06131 1.00000
Sc19 Sc 0.20961 0.41921 0.06131 1.00000
Sc20 Sc 0.58079 0.79039 0.06131 1.00000
Zn1 Zn 0.88815 0.11185 0.25000 1.00000
Zn2 Zn 0.88815 0.77631 0.25000 1.00000
Zn3 Zn 0.22369 0.11185 0.25000 1.00000
Zn4 Zn 0.11185 0.88815 0.75000 1.00000
Zn5 Zn 0.11185 0.22369 0.75000 1.00000
Zn6 Zn 0.77631 0.88815 0.75000 1.00000
Fe1 Fe 0.33333 0.66667 0.25000 1.00000
Fe2 Fe 0.66667 0.33333 0.75000 1.00000
