Ac5ErSn6
Alexandria ALEXAlex-ID: agm003676443 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_72_spg12
Ac2Er3Sn4 Ac3Sn4 AcSn
2022-04-10 04:35:18.719662
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676443).
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 agm003676443
data_agm003676443
_cell_length_a 8.56442
_cell_length_b 6.96097
_cell_length_c 8.89787
_cell_angle_alpha 66.97336
_cell_angle_beta 78.73531
_cell_angle_gamma 60.04021
_cell_volume 422.96118
_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 0.50000 0.19051 0.61898 1.00000
Ac2 Ac 0.00000 0.35422 0.29156 1.00000
Ac3 Ac 0.50000 0.50000 0.00000 1.00000
Ac4 Ac 1.00000 0.64578 0.70844 1.00000
Ac5 Ac 0.50000 0.80949 0.38102 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.79786 0.01990 0.32534 1.00000
Sn2 Sn 0.20214 0.65476 0.32534 1.00000
Sn3 Sn 0.30008 0.16682 1.00000 1.00000
Sn4 Sn 0.69992 0.83318 0.00000 1.00000
Sn5 Sn 0.79786 0.34524 0.67466 1.00000
Sn6 Sn 0.20214 0.98010 0.67466 1.00000
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