Ho2Hf2Sn2N
Alexandria ALEXAlex-ID: agm024246904 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_1_spg139
Ho5Sn3 Hf3N2 Ho5Sn4 Ho4Hf2Sn5
2025-04-18 19:43:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024246904).
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 agm024246904
data_agm024246904
_cell_length_a 4.39984
_cell_length_b 4.39984
_cell_length_c 8.56372
_cell_angle_alpha 75.13227
_cell_angle_beta 104.86773
_cell_angle_gamma 89.96001
_cell_volume 154.47329
_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 0.16347 0.83653 0.82659 1.00000
Ho2 Ho 0.83653 0.16347 0.17341 1.00000
Hf1 Hf 0.00000 0.50000 0.50000 1.00000
Hf2 Hf 0.50000 0.00000 0.50000 1.00000
Sn1 Sn 0.36275 0.63725 0.22558 1.00000
Sn2 Sn 0.63725 0.36275 0.77442 1.00000
N1 N 0.00000 0.00000 0.50000 1.00000
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