La3(PrY4)2
Alexandria ALEXAlex-ID: agm005602733 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_229_spg2
La3Pr5 PrY2 LaY2
2023-06-16 17:58:38.186916
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602733).
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 agm005602733
data_agm005602733
_cell_length_a 6.30924
_cell_length_b 8.12826
_cell_length_c 14.05315
_cell_angle_alpha 41.38003
_cell_angle_beta 67.93551
_cell_angle_gamma 74.80505
_cell_volume 441.29101
_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 0.00000 0.00000 0.00000 1.00000
La2 La 0.46336 0.30303 0.92495 1.00000
La3 La 0.53664 0.69697 0.07505 1.00000
Pr1 Pr 0.76876 0.84710 0.53723 1.00000
Pr2 Pr 0.23124 0.15290 0.46277 1.00000
Y1 Y 0.07553 0.38079 0.15501 1.00000
Y2 Y 0.92447 0.61921 0.84499 1.00000
Y3 Y 0.15388 0.76681 0.31090 1.00000
Y4 Y 0.84612 0.23319 0.68910 1.00000
Y5 Y 0.38530 0.92619 0.76658 1.00000
Y6 Y 0.30758 0.53819 0.61446 1.00000
Y7 Y 0.69242 0.46181 0.38554 1.00000
Y8 Y 0.61470 0.07381 0.23342 1.00000
Get direct link