Pu2VTcN5
Alexandria ALEXAlex-ID: agm005164047 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
Pu3VN6 Pu3TcN6 Tc3N VN
2023-01-17 01:51:05.665109
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164047).
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 agm005164047
data_agm005164047
_cell_length_a 3.31353
_cell_length_b 6.62076
_cell_length_c 9.65768
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.49157
_cell_volume 205.13003
_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 0.85440 0.70880 0.80418 1.00000
Pu2 Pu 0.11300 0.22599 0.68273 1.00000
Pu3 Pu 0.14560 0.29120 0.30418 1.00000
Pu4 Pu 0.88700 0.77401 0.18273 1.00000
V1 V 0.53799 0.07598 0.96133 1.00000
V2 V 0.46201 0.92402 0.46133 1.00000
Tc1 Tc 0.79350 0.58699 0.51010 1.00000
Tc2 Tc 0.20650 0.41301 0.01010 1.00000
N1 N 0.37256 0.74513 0.00220 1.00000
N2 N 0.68342 0.36684 0.86910 1.00000
N3 N 0.49297 0.98595 0.78156 1.00000
N4 N 0.28647 0.57294 0.65690 1.00000
N5 N 0.95205 0.90410 0.55588 1.00000
N6 N 0.62744 0.25487 0.50220 1.00000
N7 N 0.31658 0.63316 0.36910 1.00000
N8 N 0.50703 0.01405 0.28156 1.00000
N9 N 0.71353 0.42706 0.15690 1.00000
N10 N 0.04795 0.09590 0.05588 1.00000
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