CePr5Sb6
Alexandria ALEXAlex-ID: agm026347482 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
CePr5Sb6
2025-01-06 23:20:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026347482).
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 agm026347482
data_agm026347482
_cell_length_a 10.16391
_cell_length_b 10.16391
_cell_length_c 9.10456
_cell_angle_alpha 77.05684
_cell_angle_beta 102.94316
_cell_angle_gamma 154.14161
_cell_volume 399.23855
_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
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.83237 0.16763 0.66723 1.00000
Pr3 Pr 0.16763 0.83237 0.33277 1.00000
Pr4 Pr 0.83311 0.16689 0.16600 1.00000
Pr5 Pr 0.16689 0.83311 0.83400 1.00000
Sb1 Sb 0.33521 0.66479 0.41803 1.00000
Sb2 Sb 0.66661 0.33339 0.08322 1.00000
Sb3 Sb 0.66479 0.33521 0.58197 1.00000
Sb4 Sb 0.99969 0.00031 0.74568 1.00000
Sb5 Sb 0.00031 0.99969 0.25432 1.00000
Sb6 Sb 0.33339 0.66661 0.91678 1.00000
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