Hf2Ti2Pb5
Alexandria ALEXAlex-ID: agm009235103 · 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_1765_spg12
Hf3Ti2Pb3 Ti3Pb Pb
2024-03-08 09:19:48.025994
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009235103).
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 agm009235103
data_agm009235103
_cell_length_a 7.85985
_cell_length_b 7.85985
_cell_length_c 9.91059
_cell_angle_alpha 68.85476
_cell_angle_beta 68.85476
_cell_angle_gamma 24.03042
_cell_volume 231.74476
_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
Hf1 Hf 0.88991 0.88991 0.60385 1.00000
Hf2 Hf 0.11009 0.11009 0.39615 1.00000
Ti1 Ti 0.53620 0.53620 0.65338 1.00000
Ti2 Ti 0.46380 0.46380 0.34662 1.00000
Pb1 Pb 0.65390 0.65390 0.09647 1.00000
Pb2 Pb 0.34610 0.34610 0.90353 1.00000
Pb3 Pb 0.80169 0.80169 0.32809 1.00000
Pb4 Pb 0.19831 0.19831 0.67191 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
