Np2VMoN5
Alexandria ALEXAlex-ID: agm005163345 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
Mo15N16 Np7N12 NpMoN2 VN
2023-01-17 00:58:47.775784
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005163345).
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 agm005163345
data_agm005163345
_cell_length_a 3.20191
_cell_length_b 6.63404
_cell_length_c 9.90992
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.96469
_cell_volume 204.28079
_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
Np1 Np 0.85271 0.70542 0.80203 1.00000
Np2 Np 0.10678 0.21357 0.68368 1.00000
Np3 Np 0.14729 0.29458 0.30203 1.00000
Np4 Np 0.89322 0.78643 0.18368 1.00000
V1 V 0.53273 0.06547 0.96209 1.00000
V2 V 0.46727 0.93453 0.46209 1.00000
Mo1 Mo 0.79120 0.58239 0.50736 1.00000
Mo2 Mo 0.20880 0.41761 0.00736 1.00000
N1 N 0.37403 0.74807 0.00219 1.00000
N2 N 0.67918 0.35837 0.86420 1.00000
N3 N 0.48715 0.97430 0.78101 1.00000
N4 N 0.28097 0.56194 0.65834 1.00000
N5 N 0.94839 0.89677 0.56308 1.00000
N6 N 0.62597 0.25193 0.50219 1.00000
N7 N 0.32082 0.64163 0.36420 1.00000
N8 N 0.51285 0.02570 0.28101 1.00000
N9 N 0.71903 0.43806 0.15834 1.00000
N10 N 0.05161 0.10323 0.06308 1.00000
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