HfV4(MoN4)3
Alexandria ALEXAlex-ID: agm044195236 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_410_spg1
Hf3N4 MoN2 N2 VN
2024-10-15 00:07:57.821003
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044195236).
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 agm044195236
data_agm044195236
_cell_length_a 5.56545
_cell_length_b 5.98842
_cell_length_c 7.87774
_cell_angle_alpha 98.58641
_cell_angle_beta 100.31462
_cell_angle_gamma 75.60501
_cell_volume 248.68154
_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
Hf1 Hf 0.05986 0.99481 0.99258 1.00000
V1 V 0.55193 0.51821 0.55494 1.00000
V2 V 0.88870 0.55155 0.99936 1.00000
V3 V 0.91532 0.96912 0.53001 1.00000
V4 V 0.58030 0.12423 0.14058 1.00000
Mo1 Mo 0.02500 0.45737 0.44254 1.00000
Mo2 Mo 0.41041 0.97039 0.46675 1.00000
Mo3 Mo 0.44435 0.39657 0.85834 1.00000
N1 N 0.73288 0.72450 0.47816 1.00000
N2 N 0.69775 0.55278 0.77413 1.00000
N3 N 0.09495 0.46237 0.23737 1.00000
N4 N 0.34008 0.29545 0.59638 1.00000
N5 N 0.88729 0.04545 0.73931 1.00000
N6 N 0.32162 0.99555 0.24112 1.00000
N7 N 0.19054 0.62901 0.92311 1.00000
N8 N 0.74685 0.31200 0.05315 1.00000
N9 N 0.24203 0.75214 0.52814 1.00000
N10 N 0.77946 0.84841 0.09121 1.00000
N11 N 0.75648 0.25342 0.41006 1.00000
N12 N 0.33420 0.14669 0.94276 1.00000
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