Ca2Pu3Fe2
Alexandria ALEXAlex-ID: agm009656283 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_532_spg12
PuFe2 Ca Pu
2024-05-28 13:54:18.746860
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009656283).
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 agm009656283
data_agm009656283
_cell_length_a 3.97633
_cell_length_b 7.21610
_cell_length_c 6.12022
_cell_angle_alpha 94.68864
_cell_angle_beta 71.03904
_cell_angle_gamma 74.01399
_cell_volume 156.80312
_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 0.64238 0.22703 0.48821 1.00000
Ca2 Ca 0.35762 0.77297 0.51179 1.00000
Pu1 Pu 0.50000 0.00000 0.00000 1.00000
Pu2 Pu 0.23874 0.44791 0.07451 1.00000
Pu3 Pu 0.76126 0.55209 0.92549 1.00000
Fe1 Fe 0.04619 0.83470 0.07327 1.00000
Fe2 Fe 0.95381 0.16530 0.92673 1.00000
Get direct link