MnV4(MoN4)3
Alexandria ALEXAlex-ID: agm045774431 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_141_spg166
MoN2 MnN VN N2
2024-10-22 12:31:08.596420
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045774431).
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 agm045774431
data_agm045774431
_cell_length_a 5.98986
_cell_length_b 5.99813
_cell_length_c 6.64474
_cell_angle_alpha 107.65229
_cell_angle_beta 107.73273
_cell_angle_gamma 99.12580
_cell_volume 208.23490
_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 0.99669 0.99481 0.96859 1.00000
V1 V 0.13995 0.14027 0.67816 1.00000
V2 V 0.06409 0.63124 0.12644 1.00000
V3 V 0.49778 0.49731 0.30976 1.00000
V4 V 0.62862 0.06437 0.12568 1.00000
Mo1 Mo 0.47763 0.00970 0.50330 1.00000
Mo2 Mo 0.01002 0.47783 0.50453 1.00000
Mo3 Mo 0.51152 0.51211 0.93689 1.00000
N1 N 0.79267 0.47627 0.18504 1.00000
N2 N 0.82256 0.97002 0.66528 1.00000
N3 N 0.12234 0.97653 0.32049 1.00000
N4 N 0.11978 0.48188 0.81304 1.00000
N5 N 0.97039 0.82240 0.66510 1.00000
N6 N 0.97453 0.12238 0.32245 1.00000
N7 N 0.48235 0.12035 0.81202 1.00000
N8 N 0.47473 0.79226 0.18459 1.00000
N9 N 0.27823 0.62525 0.43505 1.00000
N10 N 0.25846 0.25475 0.07188 1.00000
N11 N 0.62644 0.27865 0.43607 1.00000
N12 N 0.75121 0.75160 0.93566 1.00000
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