MnTcN3
Alexandria ALEXAlex-ID: agm071293575 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4797_spg198
TcN N2 MnN
2024-08-14 12:00:32.675045
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071293575).
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 agm071293575
data_agm071293575
_cell_length_a 6.96292
_cell_length_b 6.96292
_cell_length_c 6.96292
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 337.57829
_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 0.12500 0.12500 0.12500 1.00000
Mn2 Mn 0.37500 0.87500 0.62500 1.00000
Mn3 Mn 0.87500 0.62500 0.37500 1.00000
Mn4 Mn 0.62500 0.37500 0.87500 1.00000
Tc1 Tc 0.62500 0.62500 0.62500 1.00000
Tc2 Tc 0.87500 0.37500 0.12500 1.00000
Tc3 Tc 0.37500 0.12500 0.87500 1.00000
Tc4 Tc 0.12500 0.87500 0.37500 1.00000
N1 N 0.62500 0.20601 0.04399 1.00000
N2 N 0.87500 0.79399 0.54399 1.00000
N3 N 0.37500 0.70601 0.45601 1.00000
N4 N 0.12500 0.29399 0.95601 1.00000
N5 N 0.04399 0.62500 0.20601 1.00000
N6 N 0.54399 0.87500 0.79399 1.00000
N7 N 0.45601 0.37500 0.70601 1.00000
N8 N 0.95601 0.12500 0.29399 1.00000
N9 N 0.20601 0.04399 0.62500 1.00000
N10 N 0.79399 0.54399 0.87500 1.00000
N11 N 0.70601 0.45601 0.37500 1.00000
N12 N 0.29399 0.95601 0.12500 1.00000
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