Sr3(InPb)4
Alexandria ALEXAlex-ID: agm005702833 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_1_spg71
SrIn2 SrPb3 In
2023-06-29 23:03:11.765783
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702833).
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 agm005702833
data_agm005702833
_cell_length_a 5.03283
_cell_length_b 8.55682
_cell_length_c 9.86574
_cell_angle_alpha 115.70026
_cell_angle_beta 104.77750
_cell_angle_gamma 90.00000
_cell_volume 367.17995
_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
Sr1 Sr 0.12296 0.12296 0.24592 1.00000
Sr2 Sr 0.87704 0.87704 0.75408 1.00000
Sr3 Sr 0.00000 0.50000 0.00000 1.00000
In1 In 0.32731 0.12187 0.65462 1.00000
In2 In 0.67269 0.46724 0.34538 1.00000
In3 In 0.67269 0.87813 0.34538 1.00000
In4 In 0.32731 0.53276 0.65462 1.00000
Pb1 Pb 0.21506 0.71506 0.43013 1.00000
Pb2 Pb 0.78494 0.28494 0.56987 1.00000
Pb3 Pb 0.50000 0.81293 1.00000 1.00000
Pb4 Pb 0.50000 0.18707 0.00000 1.00000
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