LaTm4Tc
Alexandria ALEXAlex-ID: agm005901465 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_2635_spg62
La7Tm LaTm2 Tm3Tc
2023-07-31 13:41:41.124434
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005901465).
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 agm005901465
data_agm005901465
_cell_length_a 3.73085
_cell_length_b 8.72955
_cell_length_c 20.49340
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 667.44127
_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
La1 La 0.75000 0.72595 0.81151 1.00000
La2 La 0.25000 0.27405 0.18849 1.00000
La3 La 0.25000 0.77405 0.31151 1.00000
La4 La 0.75000 0.22595 0.68849 1.00000
Tm1 Tm 0.75000 0.84998 0.63980 1.00000
Tm2 Tm 0.25000 0.15002 0.36020 1.00000
Tm3 Tm 0.25000 0.65002 0.13980 1.00000
Tm4 Tm 0.75000 0.34998 0.86020 1.00000
Tm5 Tm 0.75000 0.86797 0.45811 1.00000
Tm6 Tm 0.25000 0.13203 0.54189 1.00000
Tm7 Tm 0.25000 0.63203 0.95811 1.00000
Tm8 Tm 0.75000 0.36797 0.04189 1.00000
Tm9 Tm 0.75000 0.99127 0.93478 1.00000
Tm10 Tm 0.25000 0.00873 0.06522 1.00000
Tm11 Tm 0.25000 0.50873 0.43478 1.00000
Tm12 Tm 0.75000 0.49127 0.56522 1.00000
Tm13 Tm 0.75000 0.95662 0.20268 1.00000
Tm14 Tm 0.25000 0.04338 0.79732 1.00000
Tm15 Tm 0.25000 0.54338 0.70268 1.00000
Tm16 Tm 0.75000 0.45662 0.29732 1.00000
Tc1 Tc 0.75000 0.26085 0.45429 1.00000
Tc2 Tc 0.25000 0.73915 0.54571 1.00000
Tc3 Tc 0.25000 0.23915 0.95429 1.00000
Tc4 Tc 0.75000 0.76085 0.04571 1.00000
