Pu2CdSb4
Alexandria ALEXAlex-ID: agm044784669 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_39_spg122
PuCdSb2 PuSb2
2024-11-15 03:31:01.649894
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044784669).
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
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# CIF generated by HEAS from Alexandria entry agm044784669
data_agm044784669
_cell_length_a 9.82207
_cell_length_b 8.32112
_cell_length_c 6.66177
_cell_angle_alpha 63.13537
_cell_angle_beta 59.83609
_cell_angle_gamma 61.14876
_cell_volume 396.23386
_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
Pu1 Pu 0.24142 0.37982 0.60499 1.00000
Pu2 Pu 0.22693 0.54831 0.06171 1.00000
Pu3 Pu 0.26482 0.96686 0.32952 1.00000
Pu4 Pu 0.79792 0.22303 0.27268 1.00000
Cd1 Cd 0.70687 0.74614 0.48279 1.00000
Cd2 Cd 0.85698 0.99009 0.87184 1.00000
Sb1 Sb 0.99826 0.79039 0.45724 1.00000
Sb2 Sb 0.16312 0.99731 0.88204 1.00000
Sb3 Sb 0.50100 0.54660 0.54511 1.00000
Sb4 Sb 0.52487 0.09150 0.81352 1.00000
Sb5 Sb 0.51711 0.63200 0.05775 1.00000
Sb6 Sb 0.92409 0.57594 0.99068 1.00000
Sb7 Sb 0.96575 0.32803 0.52486 1.00000
Sb8 Sb 0.52292 0.13661 0.25014 1.00000
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