Li2Y(TmPb)2
Alexandria ALEXAlex-ID: agm004547802 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_139_spg166
LiTmPb LiYPb Tm
2022-06-22 06:46:05.505440
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004547802).
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 agm004547802
data_agm004547802
_cell_length_a 4.82912
_cell_length_b 4.82912
_cell_length_c 9.20397
_cell_angle_alpha 74.79109
_cell_angle_beta 74.79109
_cell_angle_gamma 60.00000
_cell_volume 177.15046
_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
Li1 Li 0.59195 0.59195 0.22415 1.00000
Li2 Li 0.40805 0.40805 0.77585 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.12998 0.12998 0.61007 1.00000
Tm2 Tm 0.87002 0.87002 0.38993 1.00000
Pb1 Pb 0.73698 0.73698 0.78907 1.00000
Pb2 Pb 0.26302 0.26302 0.21093 1.00000
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