Tl(Ag2O)2
Alexandria ALEXAlex-ID: agm096232444 · 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
AB2C4_6188_spg160
TlAgO2 Ag
2025-04-11 10:36:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096232444).
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 agm096232444
data_agm096232444
_cell_length_a 3.37458
_cell_length_b 5.37791
_cell_length_c 8.37234
_cell_angle_alpha 102.99891
_cell_angle_beta 98.50450
_cell_angle_gamma 80.52063
_cell_volume 145.05298
_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 0.67155 0.03367 0.06960 1.00000
Ag1 Ag 0.30121 0.62551 0.67824 1.00000
Ag2 Ag 0.22475 0.93737 0.37101 1.00000
Ag3 Ag 0.83532 0.13513 0.67842 1.00000
Ag4 Ag 0.84044 0.51509 0.34593 1.00000
O1 O 0.13109 0.94354 0.87056 1.00000
O2 O 0.49565 0.30971 0.48625 1.00000
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