Sr5CePb6
Alexandria ALEXAlex-ID: agm006116544 · 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
AB5C6_71_spg12
CePb2 Ce5Pb4 SrPb
2023-09-09 04:40:45.316905
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116544).
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 agm006116544
data_agm006116544
_cell_length_a 6.05386
_cell_length_b 7.60540
_cell_length_c 9.75010
_cell_angle_alpha 67.04335
_cell_angle_beta 82.88117
_cell_angle_gamma 89.99968
_cell_volume 409.60018
_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
Pb1 Pb 0.81465 0.60740 0.31495 1.00000
Pb2 Pb 0.81463 0.07759 0.31495 1.00000
Pb3 Pb 0.50000 0.77322 0.00001 1.00000
Pb4 Pb 0.50000 0.22678 0.99999 1.00000
Pb5 Pb 0.18537 0.92241 0.68505 1.00000
Pb6 Pb 0.18535 0.39260 0.68505 1.00000
Sr1 Sr 0.69444 0.17769 0.64467 1.00000
Sr2 Sr 0.32132 0.33419 0.33157 1.00000
Sr3 Sr 0.00000 0.50000 0.00000 1.00000
Sr4 Sr 0.67868 0.66581 0.66843 1.00000
Sr5 Sr 0.30556 0.82231 0.35533 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
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