La2Pr5Er2
Alexandria ALEXAlex-ID: agm009869002 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_984_spg2
La3Pr5 Pr LaEr2
2025-02-27 10:29:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009869002).
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 agm009869002
data_agm009869002
_cell_length_a 9.81618
_cell_length_b 9.81618
_cell_length_c 9.13960
_cell_angle_alpha 76.55457
_cell_angle_beta 103.44543
_cell_angle_gamma 158.23403
_cell_volume 317.28008
_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
La1 La 0.33479 0.66521 0.50808 1.00000
La2 La 0.66521 0.33479 0.49192 1.00000
Pr1 Pr 0.40848 0.59152 0.16293 1.00000
Pr2 Pr 0.59152 0.40848 0.83707 1.00000
Pr3 Pr 0.25983 0.74017 0.83014 1.00000
Pr4 Pr 0.74017 0.25983 0.16986 1.00000
Pr5 Pr 0.00000 0.00000 0.50000 1.00000
Er1 Er 0.92801 0.07199 0.83679 1.00000
Er2 Er 0.07199 0.92801 0.16321 1.00000
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