Li5Tl5Cd2
Alexandria ALEXAlex-ID: agm005644751 · 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
A2B5C5_49_spg12
Li6Tl5Cd Li2TlCd Tl
2023-06-19 02:44:06.516712
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644751).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005644751
data_agm005644751
_cell_length_a 4.67444
_cell_length_b 8.45331
_cell_length_c 7.81719
_cell_angle_alpha 69.45472
_cell_angle_beta 72.60336
_cell_angle_gamma 73.94941
_cell_volume 270.87997
_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 0.91895 0.74254 0.41957 1.00000
Li2 Li 0.24935 0.73953 0.76178 1.00000
Li3 Li 0.75065 0.26047 0.23822 1.00000
Li4 Li 0.08105 0.25746 0.58043 1.00000
Li5 Li 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Tl2 Tl 0.40884 0.24159 0.94073 1.00000
Tl3 Tl 0.32945 0.98636 0.35473 1.00000
Tl4 Tl 0.67055 0.01364 0.64527 1.00000
Tl5 Tl 0.59116 0.75841 0.05927 1.00000
Cd1 Cd 0.84296 0.50047 0.81361 1.00000
Cd2 Cd 0.15704 0.49953 0.18639 1.00000
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