Zr2CrB2Os3Ru2
Alexandria ALEXAlex-ID: agm010715922 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2E3_4_spg10
Zr3B2Ru5 ZrOs2 CrB ZrB2 Os
2024-11-01 13:28:02.316076
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010715922).
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 agm010715922
data_agm010715922
_cell_length_a 3.04729
_cell_length_b 9.42253
_cell_length_c 9.43075
_cell_angle_alpha 89.95794
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 270.78632
_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 0.00000 0.82460 0.82379 1.00000
Zr2 Zr 0.00000 0.17540 0.17621 1.00000
Zr3 Zr 0.00000 0.32360 0.67609 1.00000
Zr4 Zr 0.00000 0.67640 0.32391 1.00000
Cr1 Cr 0.00000 0.00000 0.50000 1.00000
Cr2 Cr 0.00000 0.50000 0.00000 1.00000
B1 B 0.00000 0.37634 0.37689 1.00000
B2 B 0.00000 0.62366 0.62311 1.00000
B3 B 0.00000 0.87627 0.12257 1.00000
B4 B 0.00000 0.12373 0.87743 1.00000
Os1 Os 0.50000 0.43150 0.21369 1.00000
Os2 Os 0.50000 0.56850 0.78631 1.00000
Os3 Os 0.50000 0.21302 0.43146 1.00000
Os4 Os 0.50000 0.78698 0.56854 1.00000
Os5 Os 0.50000 0.28607 0.93173 1.00000
Os6 Os 0.50000 0.71393 0.06827 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ru2 Ru 0.50000 0.50000 0.50000 1.00000
Ru3 Ru 0.50000 0.93070 0.28532 1.00000
Ru4 Ru 0.50000 0.06930 0.71468 1.00000
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