Ac3OsCl2
Alexandria ALEXAlex-ID: agm005672155 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_4_spg71
AcOsCl Ac3Os AcCl3
2023-08-17 06:18:24.082132
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672155).
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 agm005672155
data_agm005672155
_cell_length_a 4.38280
_cell_length_b 5.99336
_cell_length_c 8.55823
_cell_angle_alpha 110.49661
_cell_angle_beta 104.92342
_cell_angle_gamma 90.00000
_cell_volume 202.45887
_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
Ac1 Ac 0.50000 0.50000 0.00000 1.00000
Ac2 Ac 0.87199 0.87220 0.74441 1.00000
Ac3 Ac 0.12801 0.12780 0.25559 1.00000
Os1 Os 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.81304 0.31158 0.62315 1.00000
Cl2 Cl 0.18696 0.68842 0.37685 1.00000
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