KAg2Sn3
Alexandria ALEXAlex-ID: agm005702437 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_326_spg12
KAgSn3 Ag
2023-08-19 00:45:02.848036
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702437).
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 agm005702437
data_agm005702437
_cell_length_a 4.72102
_cell_length_b 9.56315
_cell_length_c 11.85086
_cell_angle_alpha 107.34085
_cell_angle_beta 90.00000
_cell_angle_gamma 104.29025
_cell_volume 493.35132
_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 0.16073 0.32147 0.70484 1.00000
K2 K 0.83927 0.67853 0.29516 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.19671 0.39342 0.12267 1.00000
Ag2 Ag 0.80329 0.60658 0.87733 1.00000
Ag3 Ag 0.46571 0.93142 0.20903 1.00000
Ag4 Ag 0.53429 0.06858 0.79097 1.00000
Ag5 Ag 0.35390 0.70779 0.53163 1.00000
Ag6 Ag 0.64610 0.29221 0.46837 1.00000
Sn1 Sn 0.03753 0.07506 0.34995 1.00000
Sn2 Sn 0.96247 0.92494 0.65005 1.00000
Sn3 Sn 0.20627 0.41253 0.37111 1.00000
Sn4 Sn 0.79373 0.58747 0.62889 1.00000
Sn5 Sn 0.62365 0.24730 0.20031 1.00000
Sn6 Sn 0.37635 0.75270 0.79969 1.00000
Sn7 Sn 0.50000 0.00000 0.50000 1.00000
Sn8 Sn 0.32154 0.64309 0.03000 1.00000
Sn9 Sn 0.67846 0.35691 0.97000 1.00000
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