Mn4Tc3
Alexandria ALEXAlex-ID: agm005487640 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_113_spg191
Mn2Tc Tc
2023-03-17 23:53:06.579198
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487640).
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 agm005487640
data_agm005487640
_cell_length_a 4.96887
_cell_length_b 4.96887
_cell_length_c 4.55383
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 97.36938
_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 0.27806 1.00000
Mn2 Mn 0.00000 0.00000 0.72194 1.00000
Mn3 Mn 0.66667 0.33333 0.50000 1.00000
Mn4 Mn 0.33333 0.66667 0.50000 1.00000
Tc1 Tc 0.00000 0.50000 0.00000 1.00000
Tc2 Tc 0.50000 0.50000 0.00000 1.00000
Tc3 Tc 0.50000 0.00000 0.00000 1.00000
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