K2Ce10Pt2I17
Alexandria ALEXAlex-ID: agm009062963 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C10D17_1_spg12
CePt KI CeI2 Ce
2024-11-10 14:29:21.414373
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009062963).
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 agm009062963
data_agm009062963
_cell_length_a 11.77012
_cell_length_b 11.77012
_cell_length_c 10.08129
_cell_angle_alpha 86.16611
_cell_angle_beta 86.16611
_cell_angle_gamma 107.62510
_cell_volume 1322.49548
_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 0.72883 0.27117 0.00000 1.00000
K2 K 0.27117 0.72883 0.00000 1.00000
Ce1 Ce 0.70208 0.00881 0.42960 1.00000
Ce2 Ce 0.29792 0.99119 0.57040 1.00000
Ce3 Ce 0.99119 0.29792 0.57040 1.00000
Ce4 Ce 0.00881 0.70208 0.42960 1.00000
Ce5 Ce 0.66334 0.66334 0.56047 1.00000
Ce6 Ce 0.33666 0.33666 0.43953 1.00000
Ce7 Ce 0.94298 0.94298 0.67549 1.00000
Ce8 Ce 0.05702 0.05702 0.32451 1.00000
Ce9 Ce 0.78883 0.78883 0.17133 1.00000
Ce10 Ce 0.21117 0.21117 0.82867 1.00000
Pt1 Pt 0.85453 0.85453 0.42923 1.00000
Pt2 Pt 0.14547 0.14547 0.57077 1.00000
I1 I 0.61445 0.95253 0.13784 1.00000
I2 I 0.38555 0.04747 0.86216 1.00000
I3 I 0.04747 0.38555 0.86216 1.00000
I4 I 0.95253 0.61445 0.13784 1.00000
I5 I 0.53106 0.19065 0.41576 1.00000
I6 I 0.46894 0.80935 0.58424 1.00000
I7 I 0.80935 0.46894 0.58424 1.00000
I8 I 0.19065 0.53106 0.41576 1.00000
I9 I 0.56199 0.56199 0.28455 1.00000
I10 I 0.43801 0.43801 0.71545 1.00000
I11 I 0.24508 0.90086 0.27564 1.00000
I12 I 0.75492 0.09914 0.72436 1.00000
I13 I 0.09914 0.75492 0.72436 1.00000
I14 I 0.90086 0.24508 0.27564 1.00000
I15 I 0.27796 0.27796 0.13780 1.00000
I16 I 0.72204 0.72204 0.86220 1.00000
I17 I 0.00000 0.00000 0.00000 1.00000
