Ac3(TbPb2)2
Alexandria ALEXAlex-ID: agm003340367 · 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_373_spg12
Ac5Pb4 Ac2Tb3Pb4
2022-01-30 05:20:13.808645
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003340367).
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 agm003340367
data_agm003340367
_cell_length_a 4.87356
_cell_length_b 7.50478
_cell_length_c 10.36619
_cell_angle_alpha 113.91183
_cell_angle_beta 90.00000
_cell_angle_gamma 108.94723
_cell_volume 324.00204
_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 0.62210 0.24419 0.70005 1.00000
Ac2 Ac 0.00000 0.00000 0.00000 1.00000
Ac3 Ac 0.37790 0.75581 0.29995 1.00000
Tb1 Tb 0.68320 0.36640 0.35389 1.00000
Tb2 Tb 0.31680 0.63360 0.64611 1.00000
Pb1 Pb 0.70348 0.40695 0.06592 1.00000
Pb2 Pb 0.29652 0.59305 0.93408 1.00000
Pb3 Pb 0.92590 0.85180 0.59011 1.00000
Pb4 Pb 0.07410 0.14820 0.40989 1.00000
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