Pr3Er5
Alexandria ALEXAlex-ID: agm011443532 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_48_spg44
Pr2Er7 Pr
2024-05-15 10:55:08.031141
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011443532).
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 agm011443532
data_agm011443532
_cell_length_a 12.17363
_cell_length_b 12.17363
_cell_length_c 6.20671
_cell_angle_alpha 74.94083
_cell_angle_beta 74.94083
_cell_angle_gamma 17.07083
_cell_volume 260.53036
_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
Pr1 Pr 0.62615 0.62615 0.71332 1.00000
Pr2 Pr 0.50000 0.50000 0.50000 1.00000
Pr3 Pr 0.37385 0.37385 0.28668 1.00000
Er1 Er 0.25108 0.25108 0.75090 1.00000
Er2 Er 0.74892 0.74892 0.24910 1.00000
Er3 Er 0.12654 0.12654 0.21105 1.00000
Er4 Er 0.87346 0.87346 0.78895 1.00000
Er5 Er 0.00000 0.00000 0.00000 1.00000
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