Ca3Pu2N4
Alexandria ALEXAlex-ID: agm005690211 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
CaPu2N3 Ca2N
2023-06-27 18:57:48.248584
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690211).
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 agm005690211
data_agm005690211
_cell_length_a 3.52833
_cell_length_b 6.11649
_cell_length_c 7.77782
_cell_angle_alpha 76.00488
_cell_angle_beta 76.89007
_cell_angle_gamma 73.23615
_cell_volume 153.70436
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Ca2 Ca 0.20725 0.39910 0.18639 1.00000
Ca3 Ca 0.79275 0.60090 0.81361 1.00000
Pu1 Pu 0.60003 0.18699 0.61296 1.00000
Pu2 Pu 0.39997 0.81301 0.38704 1.00000
N1 N 0.80160 0.06833 0.32846 1.00000
N2 N 0.19840 0.93167 0.67154 1.00000
N3 N 0.41309 0.30065 0.87317 1.00000
N4 N 0.58691 0.69935 0.12683 1.00000
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