La3(PrEr)4
Alexandria ALEXAlex-ID: agm005697547 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
La3Pr5 Pr LaEr2
2023-07-02 01:35:36.623760
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697547).
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 agm005697547
data_agm005697547
_cell_length_a 3.66341
_cell_length_b 5.17061
_cell_length_c 20.16880
_cell_angle_alpha 97.34469
_cell_angle_beta 95.20282
_cell_angle_gamma 90.03587
_cell_volume 377.31414
_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 0.63713 0.63735 0.27453 1.00000
La2 La 0.36287 0.36272 0.72553 1.00000
La3 La 0.99997 0.99998 0.99995 1.00000
Pr1 Pr 0.54675 0.54673 0.09351 1.00000
Pr2 Pr 0.45318 0.45325 0.90637 1.00000
Pr3 Pr 0.81629 0.81632 0.63244 1.00000
Pr4 Pr 0.18371 0.18374 0.36762 1.00000
Er1 Er 0.09165 0.09158 0.18323 1.00000
Er2 Er 0.27171 0.27171 0.54338 1.00000
Er3 Er 0.72830 0.72834 0.45670 1.00000
Er4 Er 0.90830 0.90843 0.81673 1.00000
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