Ce3(YPb2)2
Alexandria ALEXAlex-ID: agm005691063 · 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
A2B3C4_360_spg12
Ce2Y3Pb4 Ce5Pb4
2023-06-29 07:26:52.925265
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691063).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005691063
data_agm005691063
_cell_length_a 5.15022
_cell_length_b 6.89927
_cell_length_c 8.61474
_cell_angle_alpha 104.22645
_cell_angle_beta 107.39268
_cell_angle_gamma 90.00000
_cell_volume 282.25688
_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
Ce1 Ce 0.11642 0.57910 0.23283 1.00000
Ce2 Ce 0.88358 0.42090 0.76717 1.00000
Ce3 Ce 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.66642 0.07586 0.33285 1.00000
Y2 Y 0.33358 0.92414 0.66715 1.00000
Pb1 Pb 0.49395 0.71666 0.98789 1.00000
Pb2 Pb 0.24517 0.28638 0.49033 1.00000
Pb3 Pb 0.50605 0.28334 0.01211 1.00000
Pb4 Pb 0.75483 0.71362 0.50967 1.00000
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