ScMnFeGe2
Alexandria ALEXAlex-ID: agm005016894 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1563_spg119
Sc(Fe2Ge)2 Sc(MnGe)6 Sc9(FeGe)10 Sc4Fe4Ge7
2022-07-05 02:14:31.676796
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005016894).
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 agm005016894
data_agm005016894
_cell_length_a 3.78975
_cell_length_b 3.78975
_cell_length_c 6.01446
_cell_angle_alpha 108.36402
_cell_angle_beta 108.36402
_cell_angle_gamma 90.00000
_cell_volume 77.33281
_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 0.00000 1.00000
Mn1 Mn 0.25000 0.75000 0.50000 1.00000
Fe1 Fe 0.75000 0.25000 0.50000 1.00000
Ge1 Ge 0.61376 0.61376 0.22751 1.00000
Ge2 Ge 0.38624 0.38624 0.77249 1.00000
