TbTmPb
Alexandria ALEXAlex-ID: agm005657697 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_27_spg139
Tb3Tm2Pb3 Tm
2023-06-19 12:43:37.301663
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657697).
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 agm005657697
data_agm005657697
_cell_length_a 4.59965
_cell_length_b 4.59965
_cell_length_c 8.98630
_cell_angle_alpha 104.82482
_cell_angle_beta 104.82482
_cell_angle_gamma 90.00545
_cell_volume 177.23699
_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
Tb1 Tb 0.32600 0.32600 0.65202 1.00000
Tb2 Tb 0.67400 0.67400 0.34798 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Tm2 Tm 0.00000 0.50000 0.00000 1.00000
Pb1 Pb 0.86304 0.86304 0.72603 1.00000
Pb2 Pb 0.13696 0.13696 0.27397 1.00000
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