Li7Pm3Tl4
Alexandria ALEXAlex-ID: agm005702767 · 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
A3B4C7_31_spg12
Li8Tl3 LiPmTl Li13Tl3
2023-06-29 16:52:16.223299
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702767).
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 agm005702767
data_agm005702767
_cell_length_a 4.94446
_cell_length_b 8.83885
_cell_length_c 8.96306
_cell_angle_alpha 60.01889
_cell_angle_beta 73.98885
_cell_angle_gamma 73.75765
_cell_volume 321.36899
_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 0.34312 0.80842 0.50534 1.00000
Li2 Li 0.51036 0.15590 0.82338 1.00000
Li3 Li 0.85446 0.33149 0.95959 1.00000
Li4 Li 0.65688 0.19158 0.49466 1.00000
Li5 Li 0.14554 0.66851 0.04041 1.00000
Li6 Li 0.00000 0.00000 0.00000 1.00000
Li7 Li 0.48964 0.84410 0.17662 1.00000
Pm1 Pm 0.26887 0.23196 0.23031 1.00000
Pm2 Pm 0.73113 0.76804 0.76969 1.00000
Pm3 Pm 0.00000 0.50000 0.50000 1.00000
Tl1 Tl 0.64411 0.50868 0.20310 1.00000
Tl2 Tl 0.35589 0.49132 0.79690 1.00000
Tl3 Tl 0.86096 0.94465 0.33343 1.00000
Tl4 Tl 0.13904 0.05535 0.66657 1.00000
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