Tl8SnO4
Alexandria ALEXAlex-ID: agm097877366 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1607_spg8
Tl2SnO3 Tl2O Tl
2025-06-22 10:30:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097877366).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097877366
data_agm097877366
_cell_length_a 3.43912
_cell_length_b 10.94030
_cell_length_c 10.60080
_cell_angle_alpha 59.44353
_cell_angle_beta 84.63086
_cell_angle_gamma 82.87882
_cell_volume 340.59804
_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
Tl1 Tl 0.60322 0.01068 0.36831 1.00000
Tl2 Tl 0.97989 0.67422 0.99971 1.00000
Tl3 Tl 0.57401 0.66168 0.69091 1.00000
Tl4 Tl 0.45828 0.34557 0.67481 1.00000
Tl5 Tl 0.44706 0.63773 0.34356 1.00000
Tl6 Tl 0.02578 0.34024 0.32365 1.00000
Tl7 Tl 0.61615 0.34034 0.01962 1.00000
Tl8 Tl 0.50004 0.00756 0.69232 1.00000
Sn1 Sn 0.32705 0.03299 0.00585 1.00000
O1 O 0.86891 0.91050 0.03218 1.00000
O2 O 0.07843 0.51781 0.87456 1.00000
O3 O 0.98837 0.43761 0.48057 1.00000
O4 O 0.03280 0.08309 0.49396 1.00000
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