Ce(Zr4Pa)2
Alexandria ALEXAlex-ID: agm006027697 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1906_spg23
Ce Zr Pa
2023-10-02 05:17:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006027697).
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 agm006027697
data_agm006027697
_cell_length_a 3.15192
_cell_length_b 8.73015
_cell_length_c 10.81817
_cell_angle_alpha 68.66231
_cell_angle_beta 81.61887
_cell_angle_gamma 90.02171
_cell_volume 273.85316
_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 0.00012 0.00040 0.96965 1.00000
Zr1 Zr 0.93328 0.57203 0.10285 1.00000
Zr2 Zr 0.18261 0.02453 0.60396 1.00000
Zr3 Zr 0.31297 0.64608 0.34193 1.00000
Zr4 Zr 0.43764 0.24788 0.09385 1.00000
Zr5 Zr 0.68578 0.35404 0.59775 1.00000
Zr6 Zr 0.81629 0.97587 0.33523 1.00000
Zr7 Zr 0.06557 0.42872 0.83658 1.00000
Zr8 Zr 0.56157 0.75286 0.84553 1.00000
Pa1 Pa 0.30751 0.29881 0.35267 1.00000
Pa2 Pa 0.69133 0.70163 0.58668 1.00000
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