Y2Sc2Pb5
Alexandria ALEXAlex-ID: agm009357650 · 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
A2B2C5_983_spg2
Y2Sc3Pb4 ScPb Y2Pb5
2024-03-07 19:31:01.068133
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009357650).
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 agm009357650
data_agm009357650
_cell_length_a 8.12437
_cell_length_b 8.12437
_cell_length_c 8.23051
_cell_angle_alpha 65.33741
_cell_angle_beta 65.33741
_cell_angle_gamma 32.02196
_cell_volume 259.50083
_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 0.62146 0.62146 0.08252 1.00000
Y2 Y 0.37854 0.37854 0.91748 1.00000
Sc1 Sc 0.80708 0.80708 0.32834 1.00000
Sc2 Sc 0.19292 0.19292 0.67166 1.00000
Pb1 Pb 0.57820 0.57820 0.58315 1.00000
Pb2 Pb 0.42180 0.42180 0.41685 1.00000
Pb3 Pb 0.81024 0.81024 0.72164 1.00000
Pb4 Pb 0.18976 0.18976 0.27836 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
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