Ca3(PuRu2)2
Alexandria ALEXAlex-ID: agm005668525 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_32_spg12
PuRu2 Ca2PuRu2
2023-06-26 19:52:32.352511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668525).
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 agm005668525
data_agm005668525
_cell_length_a 4.23112
_cell_length_b 5.98018
_cell_length_c 9.02655
_cell_angle_alpha 101.69795
_cell_angle_beta 90.00000
_cell_angle_gamma 110.71757
_cell_volume 208.54902
_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 0.37227 0.74455 0.61476 1.00000
Ca2 Ca 0.00000 0.00000 0.00000 1.00000
Ca3 Ca 0.62773 0.25545 0.38524 1.00000
Pu1 Pu 0.33008 0.66015 0.22081 1.00000
Pu2 Pu 0.66992 0.33985 0.77919 1.00000
Ru1 Ru 0.73269 0.46538 0.09436 1.00000
Ru2 Ru 0.08514 0.17028 0.63235 1.00000
Ru3 Ru 0.91486 0.82972 0.36765 1.00000
Ru4 Ru 0.26731 0.53462 0.90564 1.00000
Get direct link