La5(NdY)2
Alexandria ALEXAlex-ID: agm009852998 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1773_spg2
La2Nd LaY2
2024-05-05 23:20:51.058715
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009852998).
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 agm009852998
data_agm009852998
_cell_length_a 6.37972
_cell_length_b 6.37662
_cell_length_c 8.26291
_cell_angle_alpha 82.63989
_cell_angle_beta 75.20965
_cell_angle_gamma 80.14528
_cell_volume 318.95098
_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 0.10979 0.22177 0.55478 1.00000
La2 La 0.89021 0.77823 0.44522 1.00000
La3 La 0.55801 0.11060 0.77831 1.00000
La4 La 0.44199 0.88940 0.22169 1.00000
La5 La 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.22405 0.44389 0.11206 1.00000
Nd2 Nd 0.77595 0.55611 0.88794 1.00000
Y1 Y 0.66683 0.33642 0.33258 1.00000
Y2 Y 0.33317 0.66358 0.66742 1.00000
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