Zr(MoRu)2
Alexandria ALEXAlex-ID: agm002952083 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_5_spg139
MoRu3 Mo ZrRu
2023-03-27 07:17:55.692469
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002952083).
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 agm002952083
data_agm002952083
_cell_length_a 4.15786
_cell_length_b 4.15786
_cell_length_c 6.06786
_cell_angle_alpha 69.96383
_cell_angle_beta 69.96383
_cell_angle_gamma 90.00000
_cell_volume 91.76381
_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
Ru1 Ru 0.75000 0.25000 0.50000 1.00000
Ru2 Ru 0.25000 0.75000 0.50000 1.00000
Mo1 Mo 0.38156 0.38156 0.23688 1.00000
Mo2 Mo 0.61844 0.61844 0.76312 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
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