Ac5(SnO6)2
Alexandria ALEXAlex-ID: agm005646593 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_4_spg12
Ac2Sn2O7 Ac2O3 AcO2
2023-06-26 02:28:00.812355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646593).
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 agm005646593
data_agm005646593
_cell_length_a 6.40323
_cell_length_b 7.47323
_cell_length_c 8.05794
_cell_angle_alpha 105.42374
_cell_angle_beta 90.00000
_cell_angle_gamma 115.36676
_cell_volume 332.98312
_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 0.30855 0.61710 0.64371 1.00000
Ac2 Ac 0.30360 0.60720 0.16139 1.00000
Ac3 Ac 0.00000 0.00000 0.50000 1.00000
Ac4 Ac 0.69640 0.39280 0.83861 1.00000
Ac5 Ac 0.69145 0.38290 0.35629 1.00000
Sn1 Sn 0.75787 0.00000 0.00000 1.00000
Sn2 Sn 0.24213 1.00000 0.00000 1.00000
O1 O 0.00108 0.00215 0.17879 1.00000
O2 O 0.10413 0.67872 0.91964 1.00000
O3 O 0.57459 0.67872 0.91964 1.00000
O4 O 0.09225 0.68828 0.42229 1.00000
O5 O 0.59603 0.68828 0.42229 1.00000
O6 O 0.50164 0.00328 0.82604 1.00000
O7 O 0.49836 0.99672 0.17396 1.00000
O8 O 0.90775 0.31172 0.57771 1.00000
O9 O 0.40397 0.31172 0.57771 1.00000
O10 O 0.89587 0.32128 0.08036 1.00000
O11 O 0.42541 0.32128 0.08036 1.00000
O12 O 0.99892 0.99785 0.82121 1.00000
Get direct link