Ce2Pr2Zr3
Alexandria ALEXAlex-ID: agm009083449 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_23_spg12
Ce Pr Zr
2024-07-20 03:05:38.848250
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009083449).
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 agm009083449
data_agm009083449
_cell_length_a 3.33169
_cell_length_b 5.80342
_cell_length_c 10.58944
_cell_angle_alpha 83.82897
_cell_angle_beta 90.01195
_cell_angle_gamma 106.69847
_cell_volume 194.87745
_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 0.42022 0.84110 0.26793 1.00000
Ce2 Ce 0.57978 0.15890 0.73207 1.00000
Pr1 Pr 0.85572 0.71140 0.59332 1.00000
Pr2 Pr 0.14428 0.28860 0.40668 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Zr2 Zr 0.71141 0.42212 0.12039 1.00000
Zr3 Zr 0.28859 0.57788 0.87961 1.00000
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