La4NdY4
Alexandria ALEXAlex-ID: agm006024176 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_320_spg2
La2Nd LaY2
2023-08-11 03:56:30.329513
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006024176).
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 agm006024176
data_agm006024176
_cell_length_a 9.70298
_cell_length_b 10.99203
_cell_length_c 11.01211
_cell_angle_alpha 87.00614
_cell_angle_beta 104.41078
_cell_angle_gamma 145.14450
_cell_volume 625.12828
_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 0.19481 0.78010 0.52740 1.00000
La2 La 0.91888 0.66838 0.91662 1.00000
La3 La 0.75111 0.00219 0.75130 1.00000
La4 La 0.02780 0.11103 0.36037 1.00000
La5 La 0.97220 0.88897 0.63963 1.00000
La6 La 0.24889 0.99781 0.24870 1.00000
La7 La 0.08112 0.33162 0.08338 1.00000
La8 La 0.80519 0.21990 0.47260 1.00000
Nd1 Nd 0.36190 0.44432 0.69644 1.00000
Nd2 Nd 0.63810 0.55568 0.30356 1.00000
Y1 Y 0.13966 0.55788 0.80802 1.00000
Y2 Y 0.47065 0.88728 0.13690 1.00000
Y3 Y 0.58415 0.33162 0.58424 1.00000
Y4 Y 0.30705 0.22326 0.97380 1.00000
Y5 Y 0.41585 0.66838 0.41576 1.00000
Y6 Y 0.69295 0.77674 0.02620 1.00000
Y7 Y 0.86034 0.44212 0.19198 1.00000
Y8 Y 0.52935 0.11272 0.86310 1.00000
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