Pm3PuC3
Alexandria ALEXAlex-ID: agm003545216 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_304_spg12
Pm2C3 Pu Pm2C
2022-04-25 21:40:12.594628
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545216).
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 agm003545216
data_agm003545216
_cell_length_a 6.48795
_cell_length_b 6.48795
_cell_length_c 6.77865
_cell_angle_alpha 90.58477
_cell_angle_beta 90.58477
_cell_angle_gamma 112.01586
_cell_volume 264.48615
_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
Pm1 Pm 0.64303 0.64303 0.35457 1.00000
Pm2 Pm 0.18030 0.81970 0.50000 1.00000
Pm3 Pm 0.81970 0.18030 0.50000 1.00000
Pm4 Pm 0.23015 0.76985 0.00000 1.00000
Pm5 Pm 0.76985 0.23015 0.00000 1.00000
Pm6 Pm 0.35697 0.35697 0.64543 1.00000
Pu1 Pu 0.76258 0.76258 0.89267 1.00000
Pu2 Pu 0.23742 0.23742 0.10733 1.00000
C1 C 0.95273 0.95273 0.21376 1.00000
C2 C 0.82038 0.51683 0.69278 1.00000
C3 C 0.51683 0.82038 0.69278 1.00000
C4 C 0.17962 0.48317 0.30722 1.00000
C5 C 0.48317 0.17962 0.30722 1.00000
C6 C 0.04727 0.04727 0.78624 1.00000
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