Ac3(LaY)4
Alexandria ALEXAlex-ID: agm005693897 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
La7Y LaY2 Ac
2023-07-02 02:42:33.258873
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693897).
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 agm005693897
data_agm005693897
_cell_length_a 3.68897
_cell_length_b 5.91919
_cell_length_c 19.10160
_cell_angle_alpha 81.13241
_cell_angle_beta 84.43875
_cell_angle_gamma 89.98565
_cell_volume 410.12672
_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
Ac1 Ac 0.13725 0.63722 0.72625 1.00000
Ac2 Ac 0.86281 0.36285 0.27370 1.00000
Ac3 Ac 0.00001 0.00002 1.00000 1.00000
La1 La 0.59195 0.09236 0.81607 1.00000
La2 La 0.26628 0.26626 0.46740 1.00000
La3 La 0.73370 0.73372 0.53269 1.00000
La4 La 0.40806 0.90768 0.18391 1.00000
Y1 Y 0.54603 0.54602 0.90936 1.00000
Y2 Y 0.45402 0.45403 0.09060 1.00000
Y3 Y 0.31723 0.81698 0.36541 1.00000
Y4 Y 0.68279 0.18303 0.63461 1.00000
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