Ho6SnIr
Alexandria ALEXAlex-ID: agm003765486 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_206_spg148
Ho3Ir Ho5Sn3 Ho
2022-04-20 06:58:33.039950
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003765486).
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 agm003765486
data_agm003765486
_cell_length_a 6.81261
_cell_length_b 6.82056
_cell_length_c 7.57499
_cell_angle_alpha 63.29111
_cell_angle_beta 63.34590
_cell_angle_gamma 60.03491
_cell_volume 260.72213
_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 0.04288 0.41894 0.75697 1.00000
Ho2 Ho 0.78065 0.04242 0.75700 1.00000
Ho3 Ho 0.58123 0.21884 0.24304 1.00000
Ho4 Ho 0.21935 0.95758 0.24300 1.00000
Ho5 Ho 0.95712 0.58106 0.24303 1.00000
Ho6 Ho 0.41877 0.78116 0.75696 1.00000
Sn1 Sn 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
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