K2TiIn
Alexandria ALEXAlex-ID: agm002842007 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_262_spg122
Ti3In K8In11 K
2017-03-12 18:13:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002842007).
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 agm002842007
data_agm002842007
_cell_length_a 9.88378
_cell_length_b 9.88378
_cell_length_c 7.63289
_cell_angle_alpha 49.65066
_cell_angle_beta 49.65066
_cell_angle_gamma 90.00000
_cell_volume 299.77239
_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 0.64289 0.12500 0.25000 1.00000
K2 K 0.10711 0.62500 0.25000 1.00000
K3 K 0.37500 0.35711 0.75000 1.00000
K4 K 0.87500 0.89289 0.75000 1.00000
Ti1 Ti 0.50000 0.50000 0.00000 1.00000
Ti2 Ti 0.25000 0.75000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.75000 0.25000 0.50000 1.00000
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