CePr2Er3
Alexandria ALEXAlex-ID: agm020654585 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2251_spg2
Pr2Er7 Ce Pr
2025-04-14 23:53:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020654585).
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 agm020654585
data_agm020654585
_cell_length_a 9.45859
_cell_length_b 9.45859
_cell_length_c 12.24904
_cell_angle_alpha 71.08513
_cell_angle_beta 108.91487
_cell_angle_gamma 158.15462
_cell_volume 384.90930
_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 0.82883 0.17117 0.57745 1.00000
Ce2 Ce 0.17117 0.82883 0.42255 1.00000
Pr1 Pr 0.16613 0.83387 0.91826 1.00000
Pr2 Pr 0.50448 0.49552 0.25492 1.00000
Pr3 Pr 0.83387 0.16613 0.08174 1.00000
Pr4 Pr 0.49552 0.50448 0.74508 1.00000
Er1 Er 0.66803 0.33197 0.17323 1.00000
Er2 Er 0.33295 0.66705 0.33779 1.00000
Er3 Er 0.00000 0.00000 0.50000 1.00000
Er4 Er 0.33197 0.66803 0.82677 1.00000
Er5 Er 0.00000 0.00000 0.00000 1.00000
Er6 Er 0.66705 0.33295 0.66221 1.00000
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