Ho3(Zn2Cd)2
Alexandria ALEXAlex-ID: agm005602687 · 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
A2B3C4_272_spg12
HoZn2 HoZnCd
2023-06-29 07:47:04.290930
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602687).
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 agm005602687
data_agm005602687
_cell_length_a 4.64664
_cell_length_b 5.79160
_cell_length_c 8.72523
_cell_angle_alpha 113.65451
_cell_angle_beta 90.00000
_cell_angle_gamma 113.65028
_cell_volume 193.35757
_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 0.66245 0.32489 0.67358 1.00000
Ho2 Ho 0.00000 0.00000 0.00000 1.00000
Ho3 Ho 0.33755 0.67511 0.32642 1.00000
Zn1 Zn 0.72884 0.45768 0.05359 1.00000
Zn2 Zn 0.27116 0.54232 0.94641 1.00000
Zn3 Zn 0.94430 0.88859 0.60451 1.00000
Zn4 Zn 0.05570 0.11141 0.39549 1.00000
Cd1 Cd 0.61926 0.23851 0.28419 1.00000
Cd2 Cd 0.38074 0.76149 0.71581 1.00000
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