Zr2Ru
Alexandria ALEXAlex-ID: agm005448041 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_62_spg141
Zr3Ru2 Zr
2023-03-22 03:46:59.295123
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005448041).
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 agm005448041
data_agm005448041
_cell_length_a 13.11047
_cell_length_b 13.11047
_cell_length_c 13.11047
_cell_angle_alpha 166.36307
_cell_angle_beta 166.36307
_cell_angle_gamma 19.33160
_cell_volume 125.25112
_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 0.56666 0.56666 0.00000 1.00000
Zr2 Zr 0.43334 0.43334 0.00000 1.00000
Zr3 Zr 0.31666 0.81666 0.50000 1.00000
Zr4 Zr 0.18334 0.68334 0.50000 1.00000
Ru1 Ru 0.75000 0.25000 0.50000 1.00000
Ru2 Ru 0.00000 0.00000 0.00000 1.00000
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