Pa2VMoN5
Alexandria ALEXAlex-ID: agm005163348 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
Pa7N12 VN Mo2N MoN
2023-01-17 00:37:35.100384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005163348).
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 agm005163348
data_agm005163348
_cell_length_a 3.30655
_cell_length_b 6.70089
_cell_length_c 9.90848
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.28376
_cell_volume 212.75330
_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
Pa1 Pa 0.85552 0.71104 0.80337 1.00000
Pa2 Pa 0.10994 0.21988 0.68124 1.00000
Pa3 Pa 0.14448 0.28896 0.30337 1.00000
Pa4 Pa 0.89006 0.78012 0.18124 1.00000
V1 V 0.54055 0.08109 0.96344 1.00000
V2 V 0.45945 0.91891 0.46344 1.00000
Mo1 Mo 0.79923 0.59845 0.50158 1.00000
Mo2 Mo 0.20077 0.40155 0.00158 1.00000
N1 N 0.37150 0.74299 0.00393 1.00000
N2 N 0.68184 0.36369 0.86309 1.00000
N3 N 0.48938 0.97876 0.78163 1.00000
N4 N 0.28381 0.56762 0.65954 1.00000
N5 N 0.95050 0.90101 0.56617 1.00000
N6 N 0.62850 0.25701 0.50393 1.00000
N7 N 0.31816 0.63631 0.36309 1.00000
N8 N 0.51062 0.02124 0.28163 1.00000
N9 N 0.71619 0.43238 0.15954 1.00000
N10 N 0.04950 0.09899 0.06617 1.00000
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