K3Zn2Sb7
Alexandria ALEXAlex-ID: agm101650906 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
KSb2 KZnSb Sb
2025-05-16 18:07:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101650906).
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 agm101650906
data_agm101650906
_cell_length_a 6.83072
_cell_length_b 6.83072
_cell_length_c 9.96746
_cell_angle_alpha 69.65488
_cell_angle_beta 110.34512
_cell_angle_gamma 120.17310
_cell_volume 368.29685
_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 0.00000 0.00000 0.00000 1.00000
K2 K 0.86000 0.14000 0.58069 1.00000
K3 K 0.14000 0.86000 0.41931 1.00000
Zn1 Zn 0.65804 0.34196 0.97716 1.00000
Zn2 Zn 0.34196 0.65804 0.02284 1.00000
Sb1 Sb 0.50000 0.50000 0.50000 1.00000
Sb2 Sb 0.41463 0.05669 0.77211 1.00000
Sb3 Sb 0.94331 0.58537 0.77211 1.00000
Sb4 Sb 0.41483 0.58517 0.76984 1.00000
Sb5 Sb 0.58537 0.94331 0.22789 1.00000
Sb6 Sb 0.58517 0.41483 0.23016 1.00000
Sb7 Sb 0.05669 0.41463 0.22789 1.00000
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