TlOs2IO8
Alexandria ALEXAlex-ID: agm004875147 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_995_spg12
OsO4 TlI
2023-01-09 09:24:17.454865
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875147).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004875147
data_agm004875147
_cell_length_a 5.54392
_cell_length_b 10.60800
_cell_length_c 10.94105
_cell_angle_alpha 27.22967
_cell_angle_beta 75.32392
_cell_angle_gamma 74.85229
_cell_volume 283.86148
_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 0.50000 0.50000 0.50000 1.00000
Os1 Os 0.31772 0.19824 0.16632 1.00000
Os2 Os 0.68228 0.80176 0.83368 1.00000
I1 I 0.00000 0.00000 0.00000 1.00000
O1 O 0.76316 0.58431 0.88936 1.00000
O2 O 0.62651 0.61386 0.13312 1.00000
O3 O 0.23684 0.41569 0.11064 1.00000
O4 O 0.37349 0.38614 0.86688 1.00000
O5 O 0.58351 0.98947 0.34666 1.00000
O6 O 0.41649 0.01053 0.65334 1.00000
O7 O 0.08036 0.98947 0.34666 1.00000
O8 O 0.91964 0.01053 0.65334 1.00000
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