Ac7La3Sc2
Alexandria ALEXAlex-ID: agm101782852 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_796_spg5
Ac AcLa11 Sc
2025-05-17 12:12:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101782852).
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 agm101782852
data_agm101782852
_cell_length_a 6.70722
_cell_length_b 6.70711
_cell_length_c 12.78033
_cell_angle_alpha 74.79613
_cell_angle_beta 74.79514
_cell_angle_gamma 59.99715
_cell_volume 474.51630
_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 0.49988 0.50012 0.49996 1.00000
Ac2 Ac 0.57010 0.26756 0.23571 1.00000
Ac3 Ac 0.92674 0.56973 0.23610 1.00000
Ac4 Ac 0.26765 0.92643 0.23637 1.00000
Ac5 Ac 0.73254 0.42983 0.76428 1.00000
Ac6 Ac 0.43043 0.07315 0.76385 1.00000
Ac7 Ac 0.07365 0.73224 0.76364 1.00000
La1 La 0.00090 0.99917 0.00003 1.00000
La2 La 0.83470 0.83586 0.49371 1.00000
La3 La 0.16403 0.16527 0.50631 1.00000
Sc1 Sc 0.66647 0.66719 0.00167 1.00000
Sc2 Sc 0.33290 0.33345 0.99837 1.00000
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