Ho8ZrC4
Alexandria ALEXAlex-ID: agm097707345 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_774_spg1
Zr6C5 Ho Ho2C
2025-06-20 20:41:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097707345).
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 agm097707345
data_agm097707345
_cell_length_a 3.54843
_cell_length_b 10.69721
_cell_length_c 9.57510
_cell_angle_alpha 124.63179
_cell_angle_beta 79.34609
_cell_angle_gamma 89.99918
_cell_volume 291.41073
_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
Ho1 Ho 0.92267 0.31715 0.54016 1.00000
Ho2 Ho 0.36554 0.10181 0.65444 1.00000
Ho3 Ho 0.02622 0.78342 0.33248 1.00000
Ho4 Ho 0.23297 0.67777 0.91785 1.00000
Ho5 Ho 0.12719 0.21896 0.13004 1.00000
Ho6 Ho 0.68426 0.45770 0.01549 1.00000
Ho7 Ho 0.57751 0.99915 0.22949 1.00000
Ho8 Ho 0.46314 0.55145 0.45895 1.00000
Zr1 Zr 0.78340 0.89437 0.81687 1.00000
C1 C 0.20091 0.93764 0.98212 1.00000
C2 C 0.96267 0.05726 0.45986 1.00000
C3 C 0.63346 0.71239 0.11733 1.00000
C4 C 0.52007 0.29093 0.34493 1.00000
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