Ta2Mn3MoN6
Alexandria ALEXAlex-ID: agm040269550 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
MnMoN2 Mn2N Ta3N5 MoN
2024-08-14 20:35:05.849687
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040269550).
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 agm040269550
data_agm040269550
_cell_length_a 5.19475
_cell_length_b 5.19475
_cell_length_c 6.30388
_cell_angle_alpha 72.92062
_cell_angle_beta 72.92062
_cell_angle_gamma 114.98464
_cell_volume 129.13120
_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
Ta1 Ta 0.67048 0.32952 0.50000 1.00000
Ta2 Ta 0.32952 0.67048 0.50000 1.00000
Mn1 Mn 0.83670 0.16330 0.00000 1.00000
Mn2 Mn 0.16330 0.83670 0.00000 1.00000
Mn3 Mn 0.50000 0.50000 0.00000 1.00000
Mo1 Mo 0.00000 0.00000 0.50000 1.00000
N1 N 0.50074 0.84023 0.73569 1.00000
N2 N 0.80767 0.80767 0.26670 1.00000
N3 N 0.49926 0.15977 0.26431 1.00000
N4 N 0.84023 0.50074 0.73569 1.00000
N5 N 0.19233 0.19233 0.73330 1.00000
N6 N 0.15977 0.49926 0.26431 1.00000
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