Mn4Fe6Os
Alexandria ALEXAlex-ID: agm006047643 · Space group: P6_3mc (#186)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_278_spg186
Mn24Os5 Fe MnOs
2023-10-06 12:52:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006047643).
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 agm006047643
data_agm006047643
_cell_length_a 4.85635
_cell_length_b 8.11280
_cell_length_c 8.11227
_cell_angle_alpha 120.00225
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00000
_cell_volume 276.78583
_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
Mn1 Mn 0.77070 0.66668 0.33336 1.00000
Mn2 Mn 0.27070 0.33332 0.66663 1.00000
Mn3 Mn 0.06695 0.85547 0.71094 1.00000
Mn4 Mn 0.06704 0.28910 0.14455 1.00000
Mn5 Mn 0.06704 0.85545 0.14455 1.00000
Mn6 Mn 0.56695 0.14453 0.28906 1.00000
Mn7 Mn 0.56704 0.71090 0.85545 1.00000
Mn8 Mn 0.56704 0.14455 0.85545 1.00000
Fe1 Fe 0.56329 0.81293 0.62585 1.00000
Fe2 Fe 0.56337 0.37418 0.18708 1.00000
Fe3 Fe 0.56338 0.81291 0.18708 1.00000
Fe4 Fe 0.06329 0.18707 0.37414 1.00000
Fe5 Fe 0.06337 0.62582 0.81292 1.00000
Fe6 Fe 0.06338 0.18709 0.81292 1.00000
Fe7 Fe 0.37359 0.49527 0.99054 1.00000
Fe8 Fe 0.37355 0.00944 0.50471 1.00000
Fe9 Fe 0.37354 0.49527 0.50471 1.00000
Fe10 Fe 0.87358 0.50473 0.00946 1.00000
Fe11 Fe 0.87355 0.99056 0.49528 1.00000
Fe12 Fe 0.87354 0.50473 0.49528 1.00000
Os1 Os 0.24425 0.66667 0.33333 1.00000
Os2 Os 0.74425 0.33333 0.66667 1.00000
