Zr2Os
Alexandria ALEXAlex-ID: agm005483867 · 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
AB2_4_spg12
Zr4Os3 Zr7Os2
2023-03-22 03:23:32.543851
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005483867).
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 agm005483867
data_agm005483867
_cell_length_a 5.61098
_cell_length_b 5.61098
_cell_length_c 6.97212
_cell_angle_alpha 69.49344
_cell_angle_beta 69.49344
_cell_angle_gamma 34.99816
_cell_volume 117.09612
_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
Zr1 Zr 0.82245 0.82245 0.60522 1.00000
Zr2 Zr 0.50438 0.50438 0.21996 1.00000
Zr3 Zr 0.49562 0.49562 0.78004 1.00000
Zr4 Zr 0.17755 0.17755 0.39478 1.00000
Os1 Os 0.16900 0.16900 0.91022 1.00000
Os2 Os 0.83100 0.83100 0.08978 1.00000
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