Ac3InPb2
Alexandria ALEXAlex-ID: agm005752958 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_315_spg62
Ac5Pb4 Ac3Pb4 Ac3In5
2023-08-18 22:28:07.168429
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752958).
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 agm005752958
data_agm005752958
_cell_length_a 4.93801
_cell_length_b 13.24923
_cell_length_c 13.65615
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 893.45206
_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
Ac1 Ac 0.25000 0.37856 0.04877 1.00000
Ac2 Ac 0.75000 0.62144 0.95123 1.00000
Ac3 Ac 0.75000 0.87856 0.45123 1.00000
Ac4 Ac 0.25000 0.12144 0.54877 1.00000
Ac5 Ac 0.25000 0.69991 0.21396 1.00000
Ac6 Ac 0.75000 0.30009 0.78604 1.00000
Ac7 Ac 0.75000 0.19991 0.28604 1.00000
Ac8 Ac 0.25000 0.80009 0.71396 1.00000
Ac9 Ac 0.25000 0.43972 0.37308 1.00000
Ac10 Ac 0.75000 0.56028 0.62692 1.00000
Ac11 Ac 0.75000 0.93972 0.12692 1.00000
Ac12 Ac 0.25000 0.06028 0.87308 1.00000
In1 In 0.25000 0.13325 0.13284 1.00000
In2 In 0.75000 0.86675 0.86716 1.00000
In3 In 0.75000 0.63325 0.36716 1.00000
In4 In 0.25000 0.36675 0.63284 1.00000
Pb1 Pb 0.25000 0.68795 0.49388 1.00000
Pb2 Pb 0.75000 0.31205 0.50612 1.00000
Pb3 Pb 0.75000 0.18795 0.00612 1.00000
Pb4 Pb 0.25000 0.81205 0.99388 1.00000
Pb5 Pb 0.25000 0.98791 0.31402 1.00000
Pb6 Pb 0.75000 0.01209 0.68598 1.00000
Pb7 Pb 0.75000 0.48791 0.18598 1.00000
Pb8 Pb 0.25000 0.51209 0.81402 1.00000
