Sr6Tl2Zn
Alexandria ALEXAlex-ID: agm005750191 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2071_spg164
Sr2Tl Sr8Tl3 SrZn
2023-07-13 00:26:05.781229
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005750191).
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
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# CIF generated by HEAS from Alexandria entry agm005750191
data_agm005750191
_cell_length_a 5.97368
_cell_length_b 5.97396
_cell_length_c 11.14971
_cell_angle_alpha 89.99974
_cell_angle_beta 89.99976
_cell_angle_gamma 119.99942
_cell_volume 344.58903
_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
Sr1 Sr 0.66666 0.33332 0.94240 1.00000
Sr2 Sr 0.33334 0.66668 0.05760 1.00000
Sr3 Sr 0.00002 0.00003 0.21632 1.00000
Sr4 Sr 0.33334 0.66667 0.41962 1.00000
Sr5 Sr 0.99998 0.99997 0.78368 1.00000
Sr6 Sr 0.66666 0.33333 0.58038 1.00000
Tl1 Tl 0.33330 0.66661 0.74218 1.00000
Tl2 Tl 0.66670 0.33339 0.25782 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
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