Li3Pm(TmSe3)2
Alexandria ALEXAlex-ID: agm044656015 · 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
AB2C3D6_28_spg12
LiPmSe2 LiTmSe2
2024-11-02 00:49:21.164661
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044656015).
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 agm044656015
data_agm044656015
_cell_length_a 8.99493
_cell_length_b 8.99493
_cell_length_c 8.03004
_cell_angle_alpha 78.32740
_cell_angle_beta 78.32740
_cell_angle_gamma 26.18984
_cell_volume 280.48871
_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 0.50000 0.50000 0.00000 1.00000
Li2 Li 0.83085 0.83085 0.33157 1.00000
Li3 Li 0.16915 0.16915 0.66843 1.00000
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.83230 0.83230 0.83643 1.00000
Tm2 Tm 0.16770 0.16770 0.16357 1.00000
Se1 Se 0.32938 0.32938 0.58948 1.00000
Se2 Se 0.66714 0.66714 0.91697 1.00000
Se3 Se 0.67062 0.67062 0.41052 1.00000
Se4 Se 0.00149 0.00149 0.23889 1.00000
Se5 Se 0.99851 0.99851 0.76111 1.00000
Se6 Se 0.33286 0.33286 0.08303 1.00000
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