Pu2NbC3
Alexandria ALEXAlex-ID: agm017183453 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1839_spg74
Pu2Nb3C4 C Pu3C2
2025-04-13 13:48:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017183453).
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 agm017183453
data_agm017183453
_cell_length_a 5.89885
_cell_length_b 5.89885
_cell_length_c 5.83154
_cell_angle_alpha 80.19549
_cell_angle_beta 99.80451
_cell_angle_gamma 61.18146
_cell_volume 167.53698
_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 0.91721 0.91721 0.75000 1.00000
Pu2 Pu 0.24689 0.24689 0.75000 1.00000
Pu3 Pu 0.08279 0.08279 0.25000 1.00000
Pu4 Pu 0.75311 0.75311 0.25000 1.00000
Nb1 Nb 0.57703 0.57703 0.75000 1.00000
Nb2 Nb 0.42297 0.42297 0.25000 1.00000
C1 C 0.20325 0.64598 0.50394 1.00000
C2 C 0.35402 0.79675 0.00394 1.00000
C3 C 0.50000 0.00000 0.50000 1.00000
C4 C 0.79675 0.35402 0.49606 1.00000
C5 C 0.00000 0.50000 0.00000 1.00000
C6 C 0.64598 0.20325 0.99606 1.00000
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