K3Na2InSb3
Alexandria ALEXAlex-ID: agm033204971 · Space group: Ibca (#73)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_18_spg73
Na3Sb K5Sb4 K2NaSb K2NaInSb2
2024-11-02 03:36:38.035820
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033204971).
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 agm033204971
data_agm033204971
_cell_length_a 14.04194
_cell_length_b 14.04194
_cell_length_c 14.04194
_cell_angle_alpha 151.00383
_cell_angle_beta 104.97864
_cell_angle_gamma 82.35059
_cell_volume 1270.74694
_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
K1 K 0.74142 0.38872 0.79784 1.00000
K2 K 0.92626 0.25000 0.17626 1.00000
K3 K 0.75858 0.55643 0.64730 1.00000
K4 K 0.25858 0.61128 0.20216 1.00000
K5 K 0.90912 0.05643 0.29784 1.00000
K6 K 0.09088 0.94357 0.70216 1.00000
K7 K 0.24142 0.44357 0.35270 1.00000
K8 K 0.57374 0.75000 0.32374 1.00000
K9 K 0.59088 0.88872 0.14730 1.00000
K10 K 0.40912 0.11128 0.85270 1.00000
K11 K 0.07374 0.75000 0.82374 1.00000
K12 K 0.42626 0.25000 0.67626 1.00000
Na1 Na 0.50325 0.25325 0.25000 1.00000
Na2 Na 0.16312 0.91312 0.25000 1.00000
Na3 Na 0.49675 0.74675 0.75000 1.00000
Na4 Na 0.99675 0.24675 0.75000 1.00000
Na5 Na 0.00325 0.75325 0.25000 1.00000
Na6 Na 0.66312 0.41312 0.25000 1.00000
Na7 Na 0.83688 0.08688 0.75000 1.00000
Na8 Na 0.33688 0.58688 0.75000 1.00000
In1 In 0.16795 0.41795 0.75000 1.00000
In2 In 0.66795 0.91795 0.75000 1.00000
In3 In 0.33205 0.08205 0.25000 1.00000
In4 In 0.83205 0.58205 0.25000 1.00000
Sb1 Sb 0.64705 0.25000 0.89705 1.00000
Sb2 Sb 0.20068 0.12202 0.64327 1.00000
Sb3 Sb 0.70068 0.05740 0.07865 1.00000
Sb4 Sb 0.79932 0.87798 0.35673 1.00000
Sb5 Sb 0.02125 0.44260 0.14327 1.00000
Sb6 Sb 0.97875 0.55740 0.85673 1.00000
Sb7 Sb 0.29932 0.94260 0.92135 1.00000
Sb8 Sb 0.35295 0.75000 0.10295 1.00000
Sb9 Sb 0.52125 0.37798 0.57865 1.00000
Sb10 Sb 0.85295 0.75000 0.60295 1.00000
Sb11 Sb 0.47875 0.62202 0.42135 1.00000
Sb12 Sb 0.14705 0.25000 0.39705 1.00000
