Na(FeGe)6
Alexandria ALEXAlex-ID: agm024313161 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6_23_spg191
Na(FeGe)6
2024-11-08 00:10:00.875269
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024313161).
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 agm024313161
data_agm024313161
_cell_length_a 8.73401
_cell_length_b 8.73401
_cell_length_c 8.05361
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 532.04554
_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
Na1 Na 0.00000 0.00000 0.50000 1.00000
Na2 Na 0.66667 0.33333 0.00000 1.00000
Na3 Na 0.33333 0.66667 0.00000 1.00000
Fe1 Fe 0.16687 0.33375 0.24886 1.00000
Fe2 Fe 0.83313 0.66625 0.75114 1.00000
Fe3 Fe 0.66625 0.83313 0.75114 1.00000
Fe4 Fe 0.83313 0.66625 0.24886 1.00000
Fe5 Fe 0.33375 0.16687 0.75114 1.00000
Fe6 Fe 0.50000 0.00000 0.25335 1.00000
Fe7 Fe 0.33375 0.16687 0.24886 1.00000
Fe8 Fe 0.16687 0.83313 0.24886 1.00000
Fe9 Fe 0.83313 0.16687 0.75114 1.00000
Fe10 Fe 0.50000 0.50000 0.74665 1.00000
Fe11 Fe 0.16687 0.33375 0.75114 1.00000
Fe12 Fe 0.66625 0.83313 0.24886 1.00000
Fe13 Fe 0.00000 0.50000 0.74665 1.00000
Fe14 Fe 0.83313 0.16687 0.24886 1.00000
Fe15 Fe 0.16687 0.83313 0.75114 1.00000
Fe16 Fe 0.50000 0.50000 0.25335 1.00000
Fe17 Fe 0.50000 0.00000 0.74665 1.00000
Fe18 Fe 0.00000 0.50000 0.25335 1.00000
Ge1 Ge 0.33333 0.66667 0.34162 1.00000
Ge2 Ge 0.66667 0.33333 0.34162 1.00000
Ge3 Ge 0.00000 0.66847 0.50000 1.00000
Ge4 Ge 0.66396 0.66396 0.00000 1.00000
Ge5 Ge 0.66667 0.33333 0.65838 1.00000
Ge6 Ge 0.33153 0.33153 0.50000 1.00000
Ge7 Ge 0.33333 0.66667 0.65838 1.00000
Ge8 Ge 0.00000 0.33153 0.50000 1.00000
Ge9 Ge 0.66847 0.00000 0.50000 1.00000
Ge10 Ge 0.00000 0.66396 0.00000 1.00000
Ge11 Ge 0.00000 0.00000 0.15794 1.00000
Ge12 Ge 0.33604 0.00000 0.00000 1.00000
Ge13 Ge 0.33604 0.33604 0.00000 1.00000
Ge14 Ge 0.66396 0.00000 0.00000 1.00000
Ge15 Ge 0.00000 0.00000 0.84206 1.00000
Ge16 Ge 0.66847 0.66847 0.50000 1.00000
Ge17 Ge 0.00000 0.33604 0.00000 1.00000
Ge18 Ge 0.33153 0.00000 0.50000 1.00000
