Ac3LaY8
Alexandria ALEXAlex-ID: agm006010282 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_277_spg71
LaY2 Ac Y
2023-09-13 05:26:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010282).
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
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# CIF generated by HEAS from Alexandria entry agm006010282
data_agm006010282
_cell_length_a 9.00871
_cell_length_b 9.00874
_cell_length_c 9.00734
_cell_angle_alpha 98.94043
_cell_angle_beta 137.40307
_cell_angle_gamma 96.23421
_cell_volume 460.77844
_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 0.49990 0.75321 0.25311 1.00000
Ac2 Ac 0.50010 0.24680 0.74689 1.00000
Ac3 Ac 0.00001 0.50001 0.50000 1.00000
La1 La 0.99999 0.99999 1.00000 1.00000
Y1 Y 0.49550 0.24409 0.25130 1.00000
Y2 Y 0.50450 0.75592 0.74873 1.00000
Y3 Y 0.00720 0.75578 0.25127 1.00000
Y4 Y 0.99280 0.24421 0.74870 1.00000
Y5 Y 0.17706 0.42626 0.24934 1.00000
Y6 Y 0.82312 0.07226 0.24936 1.00000
Y7 Y 0.82290 0.57376 0.75064 1.00000
Y8 Y 0.17692 0.92772 0.75066 1.00000
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