YTlZnO4
Alexandria ALEXAlex-ID: agm005061908 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_651_spg74
Tl2O3 Y2O3 ZnO
2022-07-16 10:05:39.881261
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005061908).
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 agm005061908
data_agm005061908
_cell_length_a 6.52436
_cell_length_b 6.60534
_cell_length_c 6.60534
_cell_angle_alpha 61.04075
_cell_angle_beta 60.40473
_cell_angle_gamma 60.40473
_cell_volume 204.07317
_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 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.00000 0.50000 0.50000 1.00000
Tl1 Tl 0.50000 0.00000 0.50000 1.00000
Tl2 Tl 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.61941 0.63059 0.13059 1.00000
Zn2 Zn 0.38059 0.36941 0.86941 1.00000
O1 O 0.75216 0.75181 0.74388 1.00000
O2 O 0.24784 0.75612 0.74819 1.00000
O3 O 0.75216 0.24388 0.25181 1.00000
O4 O 0.24784 0.24819 0.25612 1.00000
O5 O 0.23884 0.74833 0.24833 1.00000
O6 O 0.76450 0.74833 0.24833 1.00000
O7 O 0.23550 0.25167 0.75167 1.00000
O8 O 0.76116 0.25167 0.75167 1.00000
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