Pm2Tm2Pb
Alexandria ALEXAlex-ID: agm003392913 · 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
AB2C2_106_spg139
PmTm8 PmTm2 Pm5Pb3
2022-02-11 17:07:18.944374
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003392913).
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 agm003392913
data_agm003392913
_cell_length_a 4.39973
_cell_length_b 4.39973
_cell_length_c 9.13158
_cell_angle_alpha 103.94010
_cell_angle_beta 103.94010
_cell_angle_gamma 90.00000
_cell_volume 166.19057
_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
Pm1 Pm 0.41146 0.41146 0.82292 1.00000
Pm2 Pm 0.58854 0.58854 0.17708 1.00000
Tm1 Tm 0.75000 0.25000 0.50000 1.00000
Tm2 Tm 0.25000 0.75000 0.50000 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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