TlOsF5
Alexandria ALEXAlex-ID: agm005745127 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_421_spg15
TlOsF6 Os TlF
2023-07-14 05:29:02.197737
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005745127).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005745127
data_agm005745127
_cell_length_a 6.24858
_cell_length_b 6.24858
_cell_length_c 7.84340
_cell_angle_alpha 74.20589
_cell_angle_beta 74.20589
_cell_angle_gamma 76.24502
_cell_volume 279.09063
_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 0.52158 0.47842 0.75000 1.00000
Tl2 Tl 0.47842 0.52158 0.25000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.00000 0.00000 0.50000 1.00000
F1 F 0.26502 0.13941 0.89615 1.00000
F2 F 0.29508 0.80383 0.51822 1.00000
F3 F 0.13941 0.26502 0.39615 1.00000
F4 F 0.93515 0.06485 0.75000 1.00000
F5 F 0.19617 0.70492 0.98178 1.00000
F6 F 0.80383 0.29508 0.01822 1.00000
F7 F 0.06485 0.93515 0.25000 1.00000
F8 F 0.86059 0.73498 0.60385 1.00000
F9 F 0.70492 0.19617 0.48178 1.00000
F10 F 0.73498 0.86059 0.10385 1.00000
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