Na3(InSb)4
Alexandria ALEXAlex-ID: agm009919829 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
Na3InSb2 InSb In
2024-03-31 07:12:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009919829).
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 agm009919829
data_agm009919829
_cell_length_a 13.90473
_cell_length_b 13.90473
_cell_length_c 4.93442
_cell_angle_alpha 88.95798
_cell_angle_beta 88.95798
_cell_angle_gamma 20.02690
_cell_volume 326.66211
_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 0.38554 0.38554 0.38985 1.00000
Na2 Na 0.61446 0.61446 0.61015 1.00000
Na3 Na 0.00000 0.00000 0.50000 1.00000
In1 In 0.88252 0.88252 0.92729 1.00000
In2 In 0.71324 0.71324 0.14774 1.00000
In3 In 0.28676 0.28676 0.85226 1.00000
In4 In 0.11748 0.11748 0.07271 1.00000
Sb1 Sb 0.45068 0.45068 0.87944 1.00000
Sb2 Sb 0.54932 0.54932 0.12056 1.00000
Sb3 Sb 0.18482 0.18482 0.56790 1.00000
Sb4 Sb 0.81518 0.81518 0.43210 1.00000
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