Mn
Alexandria ALEXAlex-ID: agm066449977 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A_539_spg194
Mn
2024-10-15 12:19:18.698370
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066449977).
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 agm066449977
data_agm066449977
_cell_length_a 12.20147
_cell_length_b 12.20147
_cell_length_c 12.20147
_cell_angle_alpha 11.68431
_cell_angle_beta 11.68431
_cell_angle_gamma 11.68431
_cell_volume 64.74434
_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 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.22193 0.22193 0.22193 1.00000
Mn3 Mn 0.77807 0.77807 0.77807 1.00000
Mn4 Mn 0.38904 0.38904 0.38904 1.00000
Mn5 Mn 0.61096 0.61096 0.61096 1.00000
Mn6 Mn 0.50000 0.50000 0.50000 1.00000
Get direct link