Ho2Zn3In
Alexandria ALEXAlex-ID: agm005668035 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2045_spg44
HoZnIn HoZn2
2023-08-25 11:10:55.950770
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668035).
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 agm005668035
data_agm005668035
_cell_length_a 3.64374
_cell_length_b 4.56498
_cell_length_c 8.47878
_cell_angle_alpha 105.61667
_cell_angle_beta 102.40812
_cell_angle_gamma 90.00000
_cell_volume 132.40234
_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 0.13913 0.13913 0.27827 1.00000
Ho2 Ho 0.85988 0.35988 0.71976 1.00000
Zn1 Zn 0.69796 0.69796 0.39593 1.00000
Zn2 Zn 0.54465 0.54465 0.08930 1.00000
Zn3 Zn 0.29649 0.79649 0.59297 1.00000
In1 In 0.46188 0.96188 0.92377 1.00000
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