LiNd3Tl2
Alexandria ALEXAlex-ID: agm003418992 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1407_spg72
Li2NdTl Nd5Tl3
2022-02-13 12:46:16.917000
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003418992).
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 agm003418992
data_agm003418992
_cell_length_a 6.70193
_cell_length_b 6.59777
_cell_length_c 9.43774
_cell_angle_alpha 110.45929
_cell_angle_beta 110.79713
_cell_angle_gamma 90.00000
_cell_volume 361.82822
_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 0.00000 0.25000 0.00000 1.00000
Li2 Li 0.00000 0.75000 0.00000 1.00000
Nd1 Nd 0.40914 0.67712 0.35425 1.00000
Nd2 Nd 0.59086 0.32288 0.64575 1.00000
Nd3 Nd 0.05489 0.82288 0.64575 1.00000
Nd4 Nd 0.94511 0.17712 0.35425 1.00000
Nd5 Nd 0.50000 0.75000 0.00000 1.00000
Nd6 Nd 0.50000 0.25000 0.00000 1.00000
Tl1 Tl 0.36602 0.12934 0.25869 1.00000
Tl2 Tl 0.63398 0.87066 0.74131 1.00000
Tl3 Tl 0.10733 0.37066 0.74131 1.00000
Tl4 Tl 0.89267 0.62934 0.25869 1.00000
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