Ho2Zn3Ir2
Alexandria ALEXAlex-ID: agm008741065 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_21_spg12
HoZnIr HoZn4Ir
2024-04-24 19:56:14.315969
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008741065).
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}
}
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# CIF generated by HEAS from Alexandria entry agm008741065
data_agm008741065
_cell_length_a 5.28122
_cell_length_b 5.28122
_cell_length_c 6.93400
_cell_angle_alpha 70.47272
_cell_angle_beta 70.47272
_cell_angle_gamma 46.46721
_cell_volume 130.60471
_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 0.14975 0.14975 0.72487 1.00000
Ho2 Ho 0.85025 0.85025 0.27513 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.36742 0.36742 0.94412 1.00000
Zn3 Zn 0.63258 0.63258 0.05588 1.00000
Ir1 Ir 0.13837 0.13837 0.30361 1.00000
Ir2 Ir 0.86163 0.86163 0.69639 1.00000
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