Na3InSb3
Alexandria ALEXAlex-ID: agm003545462 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_445_spg12
Na3InSb2 Sb
2022-04-03 03:36:26.261266
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545462).
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 agm003545462
data_agm003545462
_cell_length_a 7.71591
_cell_length_b 7.71591
_cell_length_c 7.19870
_cell_angle_alpha 92.02406
_cell_angle_beta 92.02406
_cell_angle_gamma 100.43558
_cell_volume 420.84530
_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 0.47680 0.47680 0.26545 1.00000
Na2 Na 0.15341 0.84659 0.50000 1.00000
Na3 Na 0.84659 0.15341 0.50000 1.00000
Na4 Na 0.24026 0.75974 0.00000 1.00000
Na5 Na 0.75974 0.24026 0.00000 1.00000
Na6 Na 0.52320 0.52320 0.73455 1.00000
In1 In 0.86037 0.86037 0.80775 1.00000
In2 In 0.13963 0.13963 0.19225 1.00000
Sb1 Sb 0.80221 0.80221 0.20298 1.00000
Sb2 Sb 0.96918 0.51323 0.70584 1.00000
Sb3 Sb 0.51323 0.96918 0.70584 1.00000
Sb4 Sb 0.03082 0.48677 0.29416 1.00000
Sb5 Sb 0.48677 0.03082 0.29416 1.00000
Sb6 Sb 0.19779 0.19779 0.79702 1.00000
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