Dy4ErPb5
Alexandria ALEXAlex-ID: agm003661061 · 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_149_spg79
DyPb2 Dy2Er3Pb4 DyPb
2022-04-06 11:32:44.434537
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661061).
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 agm003661061
data_agm003661061
_cell_length_a 6.28392
_cell_length_b 7.69625
_cell_length_c 7.69625
_cell_angle_alpha 80.40605
_cell_angle_beta 65.90531
_cell_angle_gamma 65.90531
_cell_volume 310.17661
_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
Dy1 Dy 0.40122 0.39971 0.79844 1.00000
Dy2 Dy 0.80092 0.79844 0.60029 1.00000
Dy3 Dy 0.19965 0.20156 0.39971 1.00000
Dy4 Dy 0.59936 0.60029 0.20156 1.00000
Er1 Er 0.00396 1.00000 1.00000 1.00000
Pb1 Pb 0.89978 0.39893 0.80193 1.00000
Pb2 Pb 0.29871 0.80193 0.60107 1.00000
Pb3 Pb 0.70171 0.19807 0.39893 1.00000
Pb4 Pb 0.10064 0.60107 0.19807 1.00000
Pb5 Pb 0.50434 0.00000 0.00000 1.00000
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