Pm4Y10Ho
Alexandria ALEXAlex-ID: agm005998632 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_7_spg87
Y5Ho PmY2 PmHo8
2023-08-08 18:11:17.912881
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998632).
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 agm005998632
data_agm005998632
_cell_length_a 7.75124
_cell_length_b 9.49407
_cell_length_c 9.49407
_cell_angle_alpha 80.40751
_cell_angle_beta 65.90725
_cell_angle_gamma 65.90725
_cell_volume 582.24886
_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
Pm1 Pm 0.39931 0.80183 0.39956 1.00000
Pm2 Pm 0.79887 0.60044 0.80183 1.00000
Pm3 Pm 0.20113 0.39956 0.19817 1.00000
Pm4 Pm 0.60069 0.19817 0.60044 1.00000
Y1 Y 0.25000 0.50000 0.50000 1.00000
Y2 Y 0.65288 0.29802 0.89969 1.00000
Y3 Y 0.04911 0.10031 0.29802 1.00000
Y4 Y 0.44743 0.89969 0.70198 1.00000
Y5 Y 0.85059 0.70198 0.10031 1.00000
Y6 Y 0.34712 0.70198 0.10031 1.00000
Y7 Y 0.75000 0.50000 0.50000 1.00000
Y8 Y 0.14941 0.29802 0.89969 1.00000
Y9 Y 0.55257 0.10031 0.29802 1.00000
Y10 Y 0.95089 0.89969 0.70198 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
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