Th3(Ag2Pb)2
Alexandria ALEXAlex-ID: agm005608540 · 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_139_spg2
Th14Ag51 Th5Pb4 ThPb2
2023-06-26 16:35:41.700914
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608540).
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
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# CIF generated by HEAS from Alexandria entry agm005608540
data_agm005608540
_cell_length_a 4.98640
_cell_length_b 6.12206
_cell_length_c 9.38036
_cell_angle_alpha 116.70928
_cell_angle_beta 90.00000
_cell_angle_gamma 114.03210
_cell_volume 227.67121
_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
Th1 Th 0.66339 0.32678 0.67471 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
Th3 Th 0.33661 0.67322 0.32529 1.00000
Ag1 Ag 0.71413 0.42826 0.03792 1.00000
Ag2 Ag 0.28587 0.57174 0.96208 1.00000
Ag3 Ag 0.92443 0.84887 0.58212 1.00000
Ag4 Ag 0.07557 0.15113 0.41788 1.00000
Pb1 Pb 0.61262 0.22524 0.27723 1.00000
Pb2 Pb 0.38738 0.77476 0.72277 1.00000
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