VIn2(MoN2)3
Alexandria ALEXAlex-ID: agm050248760 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Mo15N16 MoN2 VN In
2024-08-14 22:58:49.683746
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050248760).
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 agm050248760
data_agm050248760
_cell_length_a 5.24771
_cell_length_b 5.24771
_cell_length_c 5.96709
_cell_angle_alpha 81.03694
_cell_angle_beta 81.03694
_cell_angle_gamma 121.10197
_cell_volume 133.45144
_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
V1 V 0.00000 0.00000 0.50000 1.00000
In1 In 0.66083 0.33917 0.50000 1.00000
In2 In 0.33917 0.66083 0.50000 1.00000
Mo1 Mo 0.81373 0.18627 0.00000 1.00000
Mo2 Mo 0.18627 0.81373 0.00000 1.00000
Mo3 Mo 0.50000 0.50000 0.00000 1.00000
N1 N 0.59766 0.92105 0.75508 1.00000
N2 N 0.76673 0.76673 0.21767 1.00000
N3 N 0.40234 0.07895 0.24492 1.00000
N4 N 0.92105 0.59766 0.75508 1.00000
N5 N 0.23327 0.23327 0.78233 1.00000
N6 N 0.07895 0.40234 0.24492 1.00000
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