Y6InSi2
Alexandria ALEXAlex-ID: agm005695319 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_160_spg71
Y6InSi2
2023-07-09 13:49:30.427335
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695319).
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 agm005695319
data_agm005695319
_cell_length_a 8.54198
_cell_length_b 8.54198
_cell_length_c 8.54198
_cell_angle_alpha 105.38208
_cell_angle_beta 110.93596
_cell_angle_gamma 112.17403
_cell_volume 477.91630
_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
Y1 Y 0.53853 0.72281 0.81572 1.00000
Y2 Y 0.46147 0.27719 0.18428 1.00000
Y3 Y 0.09291 0.27719 0.81572 1.00000
Y4 Y 0.90709 0.72281 0.18428 1.00000
Y5 Y 0.79666 0.75939 0.55605 1.00000
Y6 Y 0.20334 0.24061 0.44395 1.00000
Y7 Y 0.20334 0.75939 0.96272 1.00000
Y8 Y 0.79666 0.24061 0.03728 1.00000
Y9 Y 0.70228 0.38180 0.67952 1.00000
Y10 Y 0.29772 0.61820 0.32048 1.00000
Y11 Y 0.29772 0.97724 0.67952 1.00000
Y12 Y 0.70228 0.02276 0.32048 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.50000 0.38435 0.88435 1.00000
Si2 Si 0.50000 0.61565 0.11565 1.00000
Si3 Si 0.63257 0.00000 0.63257 1.00000
Si4 Si 0.36743 1.00000 0.36743 1.00000
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