K2Y10Fe2I17
Alexandria ALEXAlex-ID: agm009059304 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C10D17_1_spg12
Y7FeI12 Y12Fe2I17 KI Y2Fe2I
2024-09-26 11:47:29.924699
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009059304).
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 agm009059304
data_agm009059304
_cell_length_a 11.33939
_cell_length_b 11.33939
_cell_length_c 9.78112
_cell_angle_alpha 86.35224
_cell_angle_beta 86.35224
_cell_angle_gamma 107.77155
_cell_volume 1190.66015
_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 0.69920 0.30080 0.50000 1.00000
K2 K 0.30080 0.69920 0.50000 1.00000
Y1 Y 0.71742 0.00023 0.93145 1.00000
Y2 Y 0.28258 0.99977 0.06855 1.00000
Y3 Y 0.99977 0.28258 0.06855 1.00000
Y4 Y 0.00023 0.71742 0.93145 1.00000
Y5 Y 0.68018 0.68018 0.05727 1.00000
Y6 Y 0.31982 0.31982 0.94273 1.00000
Y7 Y 0.93632 0.93632 0.18739 1.00000
Y8 Y 0.06368 0.06368 0.81261 1.00000
Y9 Y 0.79569 0.79569 0.69472 1.00000
Y10 Y 0.20431 0.20431 0.30528 1.00000
Fe1 Fe 0.86592 0.86592 0.93574 1.00000
Fe2 Fe 0.13408 0.13408 0.06426 1.00000
I1 I 0.61729 0.95059 0.64523 1.00000
I2 I 0.38271 0.04941 0.35477 1.00000
I3 I 0.04941 0.38271 0.35477 1.00000
I4 I 0.95059 0.61729 0.64523 1.00000
I5 I 0.52498 0.18651 0.92201 1.00000
I6 I 0.47502 0.81349 0.07799 1.00000
I7 I 0.81349 0.47502 0.07799 1.00000
I8 I 0.18651 0.52498 0.92201 1.00000
I9 I 0.56428 0.56428 0.79217 1.00000
I10 I 0.43572 0.43572 0.20783 1.00000
I11 I 0.24612 0.89762 0.77697 1.00000
I12 I 0.75388 0.10238 0.22303 1.00000
I13 I 0.10238 0.75388 0.22303 1.00000
I14 I 0.89762 0.24612 0.77697 1.00000
I15 I 0.28462 0.28462 0.62970 1.00000
I16 I 0.71538 0.71538 0.37030 1.00000
I17 I 0.00000 0.00000 0.50000 1.00000
