Na16In12Sn
Alexandria ALEXAlex-ID: agm005720161 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB12C16_1_spg8
Na2In Na15Sn4 NaIn
2023-06-30 18:46:24.199682
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005720161).
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 agm005720161
data_agm005720161
_cell_length_a 10.22699
_cell_length_b 10.22699
_cell_length_c 10.04363
_cell_angle_alpha 109.06349
_cell_angle_beta 109.06349
_cell_angle_gamma 109.72570
_cell_volume 814.18044
_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 0.35058 0.35058 0.34058 1.00000
Na2 Na 0.00191 0.00191 0.99951 1.00000
Na3 Na 0.99935 0.99935 0.64267 1.00000
Na4 Na 0.31059 0.31059 0.71803 1.00000
Na5 Na 0.68202 0.41413 0.00689 1.00000
Na6 Na 0.58736 0.27764 0.58774 1.00000
Na7 Na 0.00074 0.68318 0.40709 1.00000
Na8 Na 0.00008 0.64914 0.00398 1.00000
Na9 Na 0.71204 0.31784 0.30885 1.00000
Na10 Na 0.40915 0.99984 0.68596 1.00000
Na11 Na 0.99984 0.40915 0.68596 1.00000
Na12 Na 0.31784 0.71204 0.30885 1.00000
Na13 Na 0.64914 0.00008 0.00398 1.00000
Na14 Na 0.68318 0.00074 0.40709 1.00000
Na15 Na 0.27764 0.58736 0.58774 1.00000
Na16 Na 0.41413 0.68202 0.00689 1.00000
In1 In 0.80996 0.80996 0.18220 1.00000
In2 In 0.62650 0.62650 0.80958 1.00000
In3 In 0.36718 0.18569 0.99814 1.00000
In4 In 0.82431 0.63583 0.63752 1.00000
In5 In 0.18213 0.99736 0.36922 1.00000
In6 In 0.36132 0.99159 0.17997 1.00000
In7 In 0.18746 0.81227 0.81092 1.00000
In8 In 0.81227 0.18746 0.81092 1.00000
In9 In 0.99159 0.36132 0.17997 1.00000
In10 In 0.99736 0.18213 0.36922 1.00000
In11 In 0.63583 0.82431 0.63752 1.00000
In12 In 0.18569 0.36718 0.99814 1.00000
Sn1 Sn 0.62283 0.62283 0.31489 1.00000
