Y5Ni2Pb5
Alexandria ALEXAlex-ID: agm005651014 · 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
A2B5C5_18_spg12
Y2Ni2Pb Y5Pb4 YPb2
2023-06-19 08:25:37.407826
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651014).
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 agm005651014
data_agm005651014
_cell_length_a 4.48552
_cell_length_b 8.57441
_cell_length_c 8.66345
_cell_angle_alpha 79.25338
_cell_angle_beta 74.99664
_cell_angle_gamma 74.83711
_cell_volume 308.10855
_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
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.37300 0.33195 0.92206 1.00000
Y3 Y 0.31997 0.04009 0.31997 1.00000
Y4 Y 0.68003 0.95991 0.68003 1.00000
Y5 Y 0.62700 0.66805 0.07794 1.00000
Ni1 Ni 0.85848 0.54003 0.74302 1.00000
Ni2 Ni 0.14152 0.45997 0.25698 1.00000
Pb1 Pb 0.94146 0.75766 0.35942 1.00000
Pb2 Pb 0.25373 0.70512 0.78743 1.00000
Pb3 Pb 0.74627 0.29488 0.21257 1.00000
Pb4 Pb 0.05854 0.24234 0.64058 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
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