LiTmBi
Alexandria ALEXAlex-ID: agm005683365 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_9347_spg11
Li3TmBi2 Tm5Bi3 Li3Bi
2023-06-17 19:21:50.576240
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683365).
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 agm005683365
data_agm005683365
_cell_length_a 4.40744
_cell_length_b 7.59098
_cell_length_c 13.11970
_cell_angle_alpha 89.81035
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 438.94080
_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 0.25000 0.99127 0.09246 1.00000
Li2 Li 0.25000 0.84362 0.45532 1.00000
Li3 Li 0.75000 0.64142 0.80418 1.00000
Li4 Li 0.75000 0.15638 0.54468 1.00000
Li5 Li 0.25000 0.35858 0.19582 1.00000
Li6 Li 0.75000 0.00873 0.90754 1.00000
Tm1 Tm 0.75000 0.52274 0.38411 1.00000
Tm2 Tm 0.25000 0.97790 0.70610 1.00000
Tm3 Tm 0.75000 0.02210 0.29390 1.00000
Tm4 Tm 0.75000 0.64628 0.07599 1.00000
Tm5 Tm 0.25000 0.47726 0.61589 1.00000
Tm6 Tm 0.25000 0.35372 0.92401 1.00000
Bi1 Bi 0.25000 0.77369 0.91370 1.00000
Bi2 Bi 0.75000 0.27358 0.75173 1.00000
Bi3 Bi 0.75000 0.77186 0.58114 1.00000
Bi4 Bi 0.75000 0.22631 0.08630 1.00000
Bi5 Bi 0.25000 0.22814 0.41886 1.00000
Bi6 Bi 0.25000 0.72642 0.24827 1.00000
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