Tm(HfZr2)6
Alexandria ALEXAlex-ID: agm006121007 · 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
AB6C12_351_spg12
HfZr2 Tm
2023-08-30 05:45:53.767741
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006121007).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006121007
data_agm006121007
_cell_length_a 6.31492
_cell_length_b 10.61400
_cell_length_c 7.89814
_cell_angle_alpha 116.37627
_cell_angle_beta 90.02892
_cell_angle_gamma 107.29939
_cell_volume 447.34474
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.62840 0.25706 0.75615 1.00000
Hf2 Hf 0.87779 0.75499 0.21799 1.00000
Hf3 Hf 0.31553 0.63310 0.54158 1.00000
Hf4 Hf 0.12221 0.24501 0.78201 1.00000
Hf5 Hf 0.37160 0.74294 0.24385 1.00000
Hf6 Hf 0.68447 0.36690 0.45842 1.00000
Zr1 Zr 0.77244 0.05941 0.36691 1.00000
Zr2 Zr 0.28796 0.05947 0.36688 1.00000
Zr3 Zr 0.48105 0.44878 0.15652 1.00000
Zr4 Zr 0.83823 0.67823 0.59002 1.00000
Zr5 Zr 0.51895 0.55122 0.84348 1.00000
Zr6 Zr 0.71204 0.94053 0.63312 1.00000
Zr7 Zr 0.42353 0.84721 0.94392 1.00000
Zr8 Zr 0.03218 0.55131 0.84353 1.00000
Zr9 Zr 0.22756 0.94059 0.63309 1.00000
Zr10 Zr 0.57647 0.15279 0.05608 1.00000
Zr11 Zr 0.96782 0.44869 0.15647 1.00000
Zr12 Zr 0.16177 0.32177 0.40998 1.00000
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