PuCd11In
Alexandria ALEXAlex-ID: agm005697196 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_0_spg12
PuCd11 PuIn3 Cd
2023-06-29 14:50:38.838494
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697196).
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 agm005697196
data_agm005697196
_cell_length_a 6.07027
_cell_length_b 7.70980
_cell_length_c 7.71004
_cell_angle_alpha 81.04424
_cell_angle_beta 66.81758
_cell_angle_gamma 66.70613
_cell_volume 304.66184
_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 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.28219 0.21032 0.21303 1.00000
Cd2 Cd 0.71781 0.78968 0.78697 1.00000
Cd3 Cd 0.50479 0.78968 0.21303 1.00000
Cd4 Cd 0.49521 0.21032 0.78697 1.00000
Cd5 Cd 0.34729 0.65070 0.64598 1.00000
Cd6 Cd 0.65271 0.34930 0.35402 1.00000
Cd7 Cd 0.00672 0.34930 0.64598 1.00000
Cd8 Cd 0.99328 0.65070 0.35402 1.00000
Cd9 Cd 0.00000 0.50000 0.00000 1.00000
Cd10 Cd 0.50000 0.00000 0.50000 1.00000
Cd11 Cd 0.00000 0.00000 0.50000 1.00000
In1 In 0.50000 0.50000 0.00000 1.00000
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