Ac5GaSn2
Alexandria ALEXAlex-ID: agm003469860 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_414_spg107
Ac5Sn3 Ac5Ga2Sn
2022-03-23 20:44:15.156026
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003469860).
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 agm003469860
data_agm003469860
_cell_length_a 7.60919
_cell_length_b 7.60928
_cell_length_c 7.24171
_cell_angle_alpha 121.66370
_cell_angle_beta 121.64557
_cell_angle_gamma 90.06844
_cell_volume 280.80971
_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 0.72214 0.22232 0.94449 1.00000
Ac2 Ac 0.22218 0.22221 0.94424 1.00000
Ac3 Ac 0.72214 0.72219 0.94445 1.00000
Ac4 Ac 0.22220 0.72197 0.94418 1.00000
Ac5 Ac 0.72223 0.72233 0.44462 1.00000
Ga1 Ga 0.22197 0.22164 0.44338 1.00000
Sn1 Sn 0.22219 0.72219 0.44430 1.00000
Sn2 Sn 0.72196 0.22215 0.44433 1.00000
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