Y6Zn8Si
Alexandria ALEXAlex-ID: agm072962971 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_167_spg2
YZn Y5Si3 YZn2
2024-10-07 08:10:16.360128
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072962971).
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 agm072962971
data_agm072962971
_cell_length_a 6.48291
_cell_length_b 7.90294
_cell_length_c 7.95876
_cell_angle_alpha 108.84450
_cell_angle_beta 100.82983
_cell_angle_gamma 115.49240
_cell_volume 321.81740
_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 0.77770 0.57585 0.96290 1.00000
Y2 Y 0.20632 0.00548 0.70453 1.00000
Y3 Y 0.43406 0.23171 0.33842 1.00000
Y4 Y 0.22230 0.42415 0.03710 1.00000
Y5 Y 0.79368 0.99452 0.29547 1.00000
Y6 Y 0.56594 0.76829 0.66158 1.00000
Zn1 Zn 0.20880 0.37367 0.65372 1.00000
Zn2 Zn 0.79120 0.62633 0.34628 1.00000
Zn3 Zn 0.26303 0.81321 0.32865 1.00000
Zn4 Zn 0.94506 0.55245 0.64643 1.00000
Zn5 Zn 0.68439 0.17794 0.02019 1.00000
Zn6 Zn 0.73697 0.18679 0.67135 1.00000
Zn7 Zn 0.05494 0.44755 0.35357 1.00000
Zn8 Zn 0.31561 0.82206 0.97981 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
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