Pu2VN4
Alexandria ALEXAlex-ID: agm003449355 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1153_spg11
Pu2N3 VN
2022-02-18 09:26:39.587827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003449355).
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 agm003449355
data_agm003449355
_cell_length_a 5.72437
_cell_length_b 5.56235
_cell_length_c 6.54095
_cell_angle_alpha 90.00000
_cell_angle_beta 108.96041
_cell_angle_gamma 90.00000
_cell_volume 196.97000
_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
Pu1 Pu 0.69263 0.75000 0.04540 1.00000
Pu2 Pu 0.30737 0.25000 0.95460 1.00000
Pu3 Pu 0.21828 0.25000 0.43052 1.00000
Pu4 Pu 0.78172 0.75000 0.56948 1.00000
V1 V 0.24150 0.75000 0.19203 1.00000
V2 V 0.75850 0.25000 0.80797 1.00000
N1 N 0.46232 0.50520 0.24257 1.00000
N2 N 0.03887 0.75000 0.91465 1.00000
N3 N 0.96113 0.25000 0.08535 1.00000
N4 N 0.46232 0.99480 0.24257 1.00000
N5 N 0.96248 0.25000 0.64195 1.00000
N6 N 0.53768 0.00520 0.75743 1.00000
N7 N 0.53768 0.49480 0.75743 1.00000
N8 N 0.03752 0.75000 0.35805 1.00000
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