MnMo2N5
Alexandria ALEXAlex-ID: agm014875784 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_71_spg62
MoN2 MnN
2024-10-15 02:37:18.629603
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014875784).
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 agm014875784
data_agm014875784
_cell_length_a 3.22950
_cell_length_b 10.46062
_cell_length_c 12.07247
_cell_angle_alpha 90.00161
_cell_angle_beta 89.99850
_cell_angle_gamma 103.85721
_cell_volume 395.96964
_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 0.95400 0.76928 0.16096 1.00000
Mn2 Mn 0.04600 0.23072 0.83904 1.00000
Mn3 Mn 0.54617 0.73070 0.66096 1.00000
Mn4 Mn 0.45383 0.26930 0.33904 1.00000
Mo1 Mo 0.40312 0.76404 0.95120 1.00000
Mo2 Mo 0.59688 0.23596 0.04880 1.00000
Mo3 Mo 0.09712 0.73597 0.45119 1.00000
Mo4 Mo 0.90288 0.26403 0.54881 1.00000
Mo5 Mo 0.64985 0.01758 0.28806 1.00000
Mo6 Mo 0.35015 0.98242 0.71194 1.00000
Mo7 Mo 0.85011 0.48244 0.78808 1.00000
Mo8 Mo 0.14989 0.51756 0.21192 1.00000
N1 N 0.39002 0.67766 0.11581 1.00000
N2 N 0.60998 0.32234 0.88419 1.00000
N3 N 0.11016 0.82231 0.61582 1.00000
N4 N 0.88984 0.17769 0.38418 1.00000
N5 N 0.42332 0.55440 0.71931 1.00000
N6 N 0.57668 0.44560 0.28069 1.00000
N7 N 0.07664 0.94561 0.21931 1.00000
N8 N 0.92336 0.05439 0.78069 1.00000
N9 N 0.49808 0.65145 0.50268 1.00000
N10 N 0.50192 0.34855 0.49732 1.00000
N11 N 0.00219 0.84857 0.00268 1.00000
N12 N 0.99781 0.15143 0.99732 1.00000
N13 N 0.00561 0.69870 0.30080 1.00000
N14 N 0.99439 0.30130 0.69920 1.00000
N15 N 0.49464 0.80130 0.80080 1.00000
N16 N 0.50536 0.19870 0.19920 1.00000
N17 N 0.50099 0.90023 0.39809 1.00000
N18 N 0.49901 0.09977 0.60191 1.00000
N19 N 0.99898 0.59980 0.89810 1.00000
N20 N 0.00102 0.40020 0.10190 1.00000
