CaPu5Sb6
Alexandria ALEXAlex-ID: agm003678063 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
Ca5Sb4 PuSb2 Pu4Sb3
2022-04-09 21:55:21.185006
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678063).
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 agm003678063
data_agm003678063
_cell_length_a 7.68346
_cell_length_b 7.69133
_cell_length_c 7.68746
_cell_angle_alpha 59.98336
_cell_angle_beta 80.42308
_cell_angle_gamma 70.57481
_cell_volume 370.97646
_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
Pu1 Pu 0.50000 0.16324 0.67353 1.00000
Pu2 Pu 1.00000 0.33238 0.33524 1.00000
Pu3 Pu 0.50000 0.50000 0.00000 1.00000
Pu4 Pu 0.00000 0.66762 0.66476 1.00000
Pu5 Pu 0.50000 0.83676 0.32647 1.00000
Sb1 Sb 0.74575 0.08506 0.34051 1.00000
Sb2 Sb 0.25425 0.57443 0.34051 1.00000
Sb3 Sb 0.25127 0.25707 1.00000 1.00000
Sb4 Sb 0.74873 0.74293 0.00000 1.00000
Sb5 Sb 0.74575 0.42557 0.65949 1.00000
Sb6 Sb 0.25425 0.91494 0.65949 1.00000
Get direct link