Ce3Er2PuSb6
Alexandria ALEXAlex-ID: agm033953473 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
CeErSb2 CePuSb2
2025-02-26 04:28:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033953473).
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 agm033953473
data_agm033953473
_cell_length_a 9.90883
_cell_length_b 9.90883
_cell_length_c 8.85981
_cell_angle_alpha 77.39831
_cell_angle_beta 102.60169
_cell_angle_gamma 154.06951
_cell_volume 370.73509
_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
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Ce2 Ce 0.16581 0.83419 0.83301 1.00000
Ce3 Ce 0.83419 0.16581 0.16699 1.00000
Er1 Er 0.16720 0.83280 0.33373 1.00000
Er2 Er 0.83280 0.16720 0.66627 1.00000
Pu1 Pu 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.66668 0.33332 0.08882 1.00000
Sb2 Sb 0.33162 0.66838 0.42104 1.00000
Sb3 Sb 0.33332 0.66668 0.91118 1.00000
Sb4 Sb 0.99748 0.00252 0.75089 1.00000
Sb5 Sb 0.00252 0.99748 0.24911 1.00000
Sb6 Sb 0.66838 0.33162 0.57896 1.00000
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