Ho2Ga2Ru4C
Alexandria ALEXAlex-ID: agm004567461 · 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
AB2C2D4_166_spg139
Ho2Ga2Ru2C Ru
2022-06-19 11:18:54.607923
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004567461).
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 agm004567461
data_agm004567461
_cell_length_a 5.86268
_cell_length_b 5.86268
_cell_length_c 5.86268
_cell_angle_alpha 92.21737
_cell_angle_beta 118.72817
_cell_angle_gamma 118.72817
_cell_volume 145.10823
_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 1.00000 0.71267 0.71267 1.00000
Ho2 Ho 0.00000 0.28733 0.28733 1.00000
Ga1 Ga 0.50000 0.75000 0.25000 1.00000
Ga2 Ga 0.50000 0.25000 0.75000 1.00000
Ru1 Ru 0.00000 0.76264 0.23736 1.00000
Ru2 Ru 0.52528 0.76264 0.76264 1.00000
Ru3 Ru 0.00000 0.23736 0.76264 1.00000
Ru4 Ru 0.47472 0.23736 0.23736 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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