LiPm4Tc
Alexandria ALEXAlex-ID: agm005808516 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1160_spg15
PmTc2 Li Pm
2023-07-29 04:21:22.363821
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808516).
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 agm005808516
data_agm005808516
_cell_length_a 6.38991
_cell_length_b 7.87474
_cell_length_c 7.87474
_cell_angle_alpha 110.22676
_cell_angle_beta 100.38072
_cell_angle_gamma 100.38085
_cell_volume 352.87888
_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 0.75000 0.62344 0.37656 1.00000
Li2 Li 0.25000 0.37656 0.62344 1.00000
Pm1 Pm 0.88643 0.63847 0.80246 1.00000
Pm2 Pm 0.05076 0.93152 0.27484 1.00000
Pm3 Pm 0.61356 0.19754 0.36153 1.00000
Pm4 Pm 0.44924 0.72516 0.06848 1.00000
Pm5 Pm 0.55076 0.27484 0.93152 1.00000
Pm6 Pm 0.38644 0.80246 0.63847 1.00000
Pm7 Pm 0.94924 0.06848 0.72516 1.00000
Pm8 Pm 0.11357 0.36153 0.19754 1.00000
Tc1 Tc 0.25000 1.00000 0.00000 1.00000
Tc2 Tc 0.75000 0.00000 1.00000 1.00000
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