LiZn4(SnO2)4
Alexandria ALEXAlex-ID: agm005286015 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4D8_15_spg12
Li2SnO3 ZnO Sn SnO
2023-05-07 12:23:22.133767
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005286015).
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 agm005286015
data_agm005286015
_cell_length_a 3.37131
_cell_length_b 9.03708
_cell_length_c 8.93624
_cell_angle_alpha 80.44958
_cell_angle_beta 79.26346
_cell_angle_gamma 79.55649
_cell_volume 260.58905
_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
Li1 Li 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.66308 0.92920 0.24624 1.00000
Zn2 Zn 0.33692 0.07080 0.75376 1.00000
Zn3 Zn 0.07038 0.23691 0.13227 1.00000
Zn4 Zn 0.92962 0.76309 0.86773 1.00000
Sn1 Sn 0.14985 0.66336 0.54264 1.00000
Sn2 Sn 0.36120 0.60812 0.16311 1.00000
Sn3 Sn 0.63880 0.39188 0.83689 1.00000
Sn4 Sn 0.85015 0.33664 0.45736 1.00000
O1 O 0.38542 0.18847 0.53295 1.00000
O2 O 0.46778 0.63711 0.91373 1.00000
O3 O 0.53222 0.36289 0.08627 1.00000
O4 O 0.61458 0.81153 0.46705 1.00000
O5 O 0.89883 0.95853 0.73917 1.00000
O6 O 0.80876 0.76693 0.10947 1.00000
O7 O 0.10117 0.04147 0.26083 1.00000
O8 O 0.19124 0.23307 0.89053 1.00000
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