Ac8La5Y
Alexandria ALEXAlex-ID: agm006099481 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
La7Y LaY2 Ac
2023-08-11 10:05:19.380395
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006099481).
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 agm006099481
data_agm006099481
_cell_length_a 9.15631
_cell_length_b 9.15631
_cell_length_c 9.15631
_cell_angle_alpha 110.73256
_cell_angle_beta 106.97697
_cell_angle_gamma 110.73255
_cell_volume 590.09945
_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 0.17103 0.73090 0.06823 1.00000
Ac2 Ac 0.93177 0.10280 0.66267 1.00000
Ac3 Ac 0.73464 0.25999 0.33915 1.00000
Ac4 Ac 0.66085 0.39549 0.92084 1.00000
Ac5 Ac 0.52535 0.60451 0.26536 1.00000
Ac6 Ac 0.55987 0.89720 0.82897 1.00000
Ac7 Ac 0.33733 0.26910 0.44013 1.00000
Ac8 Ac 0.07917 0.74001 0.47465 1.00000
La1 La 0.02454 0.30218 0.12656 1.00000
La2 La 0.87344 0.89798 0.17563 1.00000
La3 La 0.82437 0.69782 0.72235 1.00000
La4 La 0.50000 0.00000 0.50000 1.00000
La5 La 0.27765 0.10202 0.97546 1.00000
Y1 Y 0.25000 0.50000 0.75000 1.00000
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