K17Na11Ag
Alexandria ALEXAlex-ID: agm005585998 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11C17_2_spg8
KNa2 NaAg2 K
2023-06-09 06:30:14.998613
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005585998).
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 agm005585998
data_agm005585998
_cell_length_a 12.35559
_cell_length_b 12.35559
_cell_length_c 12.31305
_cell_angle_alpha 106.55904
_cell_angle_beta 106.55903
_cell_angle_gamma 106.17901
_cell_volume 1589.04608
_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 0.00387 0.00387 0.36771 1.00000
K2 K 0.71494 0.71494 0.31716 1.00000
K3 K 0.70372 0.70372 0.70009 1.00000
K4 K 0.38064 0.38064 0.64729 1.00000
K5 K 0.00876 0.00876 0.00372 1.00000
K6 K 0.34423 0.56857 0.00301 1.00000
K7 K 0.38060 0.61447 0.36565 1.00000
K8 K 0.99325 0.34557 0.57737 1.00000
K9 K 0.00884 0.36273 0.00050 1.00000
K10 K 0.31594 0.70583 0.70666 1.00000
K11 K 0.57916 0.99521 0.34368 1.00000
K12 K 0.99521 0.57916 0.34368 1.00000
K13 K 0.70583 0.31594 0.70666 1.00000
K14 K 0.36273 0.00884 0.00050 1.00000
K15 K 0.34557 0.99325 0.57737 1.00000
K16 K 0.61447 0.38060 0.36565 1.00000
K17 K 0.56857 0.34423 0.00301 1.00000
Na1 Na 0.18829 0.18829 0.82303 1.00000
Na2 Na 0.65119 0.83826 0.02559 1.00000
Na3 Na 0.14246 0.31578 0.30570 1.00000
Na4 Na 0.84349 0.03119 0.65495 1.00000
Na5 Na 0.65544 0.03137 0.84232 1.00000
Na6 Na 0.79593 0.18292 0.18280 1.00000
Na7 Na 0.18292 0.79593 0.18280 1.00000
Na8 Na 0.03137 0.65544 0.84232 1.00000
Na9 Na 0.03119 0.84349 0.65495 1.00000
Na10 Na 0.31578 0.14246 0.30570 1.00000
Na11 Na 0.83826 0.65119 0.02559 1.00000
Ag1 Ag 0.29736 0.29736 0.12455 1.00000
