Na4Ac3SnO8
Alexandria ALEXAlex-ID: agm004712751 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_65_spg12
NaAcO2 Na2SnO2 Na2SnO3 Ac2O3
2023-02-05 02:30:57.233075
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004712751).
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 agm004712751
data_agm004712751
_cell_length_a 7.41728
_cell_length_b 7.14748
_cell_length_c 7.41595
_cell_angle_alpha 121.27520
_cell_angle_beta 120.00594
_cell_angle_gamma 90.00000
_cell_volume 272.49823
_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
Na1 Na 0.50000 0.00000 0.00000 1.00000
Na2 Na 0.50000 0.00000 0.50000 1.00000
Na3 Na 0.00000 0.00000 0.00000 1.00000
Na4 Na 0.00000 0.00000 0.50000 1.00000
Ac1 Ac 0.50000 0.50000 0.00000 1.00000
Ac2 Ac 0.50000 0.50000 0.50000 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
Sn1 Sn 0.00000 0.50000 0.00000 1.00000
O1 O 0.22879 0.71832 0.98976 1.00000
O2 O 0.22898 0.71851 0.45796 1.00000
O3 O 0.25974 0.27944 0.51947 1.00000
O4 O 0.76097 0.71832 0.98976 1.00000
O5 O 0.23903 0.28168 0.01024 1.00000
O6 O 0.74026 0.72056 0.48053 1.00000
O7 O 0.77102 0.28149 0.54204 1.00000
O8 O 0.77121 0.28168 0.01024 1.00000
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