Ce8Pa
Alexandria ALEXAlex-ID: agm005548486 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8_3_spg139
Pa Ce
2023-05-29 11:36:19.823121
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005548486).
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 agm005548486
data_agm005548486
_cell_length_a 8.61577
_cell_length_b 8.61577
_cell_length_c 8.61577
_cell_angle_alpha 158.49409
_cell_angle_beta 91.99461
_cell_angle_gamma 91.99514
_cell_volume 230.34464
_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 1.00000 0.66496 0.33504 1.00000
Ce2 Ce 0.00000 0.33504 0.66496 1.00000
Ce3 Ce 0.66586 1.00000 0.66586 1.00000
Ce4 Ce 0.67008 0.33504 0.33504 1.00000
Ce5 Ce 0.66586 0.66586 0.00000 1.00000
Ce6 Ce 0.32992 0.66496 0.66496 1.00000
Ce7 Ce 0.33414 0.00000 0.33414 1.00000
Ce8 Ce 0.33414 0.33414 1.00000 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
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