Li4Pr3Tl4
Alexandria ALEXAlex-ID: agm005696804 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_73_spg71
Li8Tl3 Li2PrTl PrTl
2023-06-29 20:47:09.477807
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696804).
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 agm005696804
data_agm005696804
_cell_length_a 4.85024
_cell_length_b 7.51930
_cell_length_c 8.85582
_cell_angle_alpha 115.12155
_cell_angle_beta 105.89317
_cell_angle_gamma 89.99999
_cell_volume 278.72870
_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 0.32539 0.14025 0.65078 1.00000
Li2 Li 0.67461 0.48948 0.34922 1.00000
Li3 Li 0.67461 0.85975 0.34922 1.00000
Li4 Li 0.32539 0.51052 0.65078 1.00000
Pr1 Pr 0.12219 0.12219 0.24439 1.00000
Pr2 Pr 0.87781 0.87781 0.75561 1.00000
Pr3 Pr 0.00000 0.50000 0.00000 1.00000
Tl1 Tl 0.22044 0.72044 0.44088 1.00000
Tl2 Tl 0.77956 0.27956 0.55912 1.00000
Tl3 Tl 0.50000 0.79294 0.00000 1.00000
Tl4 Tl 0.50000 0.20706 1.00000 1.00000
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