Li(Tm3Co)2
Alexandria ALEXAlex-ID: agm005806063 · 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
AB2C6_730_spg71
Tm3Co Li
2023-07-08 13:43:12.331332
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806063).
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 agm005806063
data_agm005806063
_cell_length_a 8.20972
_cell_length_b 8.20972
_cell_length_c 8.20972
_cell_angle_alpha 106.78993
_cell_angle_beta 109.75813
_cell_angle_gamma 111.90608
_cell_volume 425.10133
_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 0.50000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.53790 0.71874 0.81917 1.00000
Tm2 Tm 0.46210 0.28126 0.18083 1.00000
Tm3 Tm 0.10043 0.28126 0.81917 1.00000
Tm4 Tm 0.89957 0.71874 0.18083 1.00000
Tm5 Tm 0.80018 0.76579 0.56596 1.00000
Tm6 Tm 0.19982 0.23421 0.43404 1.00000
Tm7 Tm 0.19982 0.76579 0.96561 1.00000
Tm8 Tm 0.80018 0.23421 0.03439 1.00000
Tm9 Tm 0.68534 0.36395 0.67861 1.00000
Tm10 Tm 0.31466 0.63605 0.32139 1.00000
Tm11 Tm 0.31466 0.99328 0.67861 1.00000
Tm12 Tm 0.68534 0.00672 0.32139 1.00000
Co1 Co 0.50000 0.38482 0.88482 1.00000
Co2 Co 0.50000 0.61518 0.11518 1.00000
Co3 Co 0.66657 0.00000 0.66657 1.00000
Co4 Co 0.33343 1.00000 0.33343 1.00000
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