Ho2ZnB2Ir5
Alexandria ALEXAlex-ID: agm005137948 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_6_spg127
Ho2ZnB2Ir5
2022-07-14 14:37:57.350490
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005137948).
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 agm005137948
data_agm005137948
_cell_length_a 3.12906
_cell_length_b 9.61968
_cell_length_c 9.61968
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 289.55737
_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 0.00000 0.67747 0.17747 1.00000
Ho2 Ho 0.00000 0.32253 0.82253 1.00000
Ho3 Ho 0.00000 0.17747 0.32253 1.00000
Ho4 Ho 0.00000 0.82253 0.67747 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.00000 0.50000 0.50000 1.00000
B1 B 0.00000 0.12289 0.62289 1.00000
B2 B 0.00000 0.87711 0.37711 1.00000
B3 B 0.00000 0.62289 0.87711 1.00000
B4 B 0.00000 0.37711 0.12289 1.00000
Ir1 Ir 0.50000 0.21978 0.06771 1.00000
Ir2 Ir 0.50000 0.78022 0.93229 1.00000
Ir3 Ir 0.50000 0.06771 0.78022 1.00000
Ir4 Ir 0.50000 0.71978 0.43229 1.00000
Ir5 Ir 0.50000 0.93229 0.21978 1.00000
Ir6 Ir 0.50000 0.28022 0.56771 1.00000
Ir7 Ir 0.50000 0.56771 0.71978 1.00000
Ir8 Ir 0.50000 0.43229 0.28022 1.00000
Ir9 Ir 0.50000 0.50000 0.00000 1.00000
Ir10 Ir 0.50000 0.00000 0.50000 1.00000
