Y6TlZn2
Alexandria ALEXAlex-ID: agm005697573 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_730_spg71
Y2Zn Y5Tl3 Y
2023-07-10 16:58:37.035330
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697573).
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 agm005697573
data_agm005697573
_cell_length_a 8.66023
_cell_length_b 8.66023
_cell_length_c 8.66023
_cell_angle_alpha 106.69587
_cell_angle_beta 111.09870
_cell_angle_gamma 110.65455
_cell_volume 499.11341
_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 0.53968 0.72355 0.81612 1.00000
Y2 Y 0.46032 0.27645 0.18388 1.00000
Y3 Y 0.09257 0.27645 0.81612 1.00000
Y4 Y 0.90743 0.72355 0.18388 1.00000
Y5 Y 0.79500 0.76069 0.55569 1.00000
Y6 Y 0.20500 0.23931 0.44431 1.00000
Y7 Y 0.20500 0.76069 0.96569 1.00000
Y8 Y 0.79500 0.23931 0.03431 1.00000
Y9 Y 0.70859 0.39139 0.68280 1.00000
Y10 Y 0.29141 0.60861 0.31720 1.00000
Y11 Y 0.29141 0.97421 0.68280 1.00000
Y12 Y 0.70859 0.02579 0.31720 1.00000
Tl1 Tl 0.00000 0.50000 0.50000 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.37710 0.87710 1.00000
Zn2 Zn 0.50000 0.62290 0.12290 1.00000
Zn3 Zn 0.63738 0.00000 0.63738 1.00000
Zn4 Zn 0.36262 1.00000 0.36262 1.00000
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