Ho4TmPb5
Alexandria ALEXAlex-ID: agm003661053 · 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
AB4C5_3_spg79
Ho4Tm2Pb5 HoPb2 HoPb
2022-04-06 15:16:50.223867
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661053).
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 agm003661053
data_agm003661053
_cell_length_a 6.26306
_cell_length_b 7.67028
_cell_length_c 7.67028
_cell_angle_alpha 80.40500
_cell_angle_beta 65.90393
_cell_angle_gamma 65.90393
_cell_volume 307.05701
_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 0.40101 0.39978 0.79873 1.00000
Ho2 Ho 0.80079 0.79873 0.60022 1.00000
Ho3 Ho 0.19974 0.20127 0.39978 1.00000
Ho4 Ho 0.59953 0.60022 0.20127 1.00000
Tm1 Tm 0.00405 0.00000 0.00000 1.00000
Pb1 Pb 0.89994 0.39895 0.80160 1.00000
Pb2 Pb 0.29889 0.80160 0.60105 1.00000
Pb3 Pb 0.70154 0.19840 0.39895 1.00000
Pb4 Pb 0.10049 0.60105 0.19840 1.00000
Pb5 Pb 0.50431 1.00000 1.00000 1.00000
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