LaTcB14
Alexandria ALEXAlex-ID: agm005755115 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_1_spg74
LaB6 TcB2 B
2023-07-20 23:11:24.874950
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755115).
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 agm005755115
data_agm005755115
_cell_length_a 5.90036
_cell_length_b 7.48355
_cell_length_c 7.48355
_cell_angle_alpha 67.72731
_cell_angle_beta 66.78255
_cell_angle_gamma 66.78255
_cell_volume 269.12820
_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 0.25000 0.37653 0.12347 1.00000
La2 La 0.75000 0.62347 0.87653 1.00000
Tc1 Tc 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.50000 1.00000
B1 B 0.66597 0.36824 0.29982 1.00000
B2 B 0.33403 0.63176 0.70018 1.00000
B3 B 0.16597 0.79982 0.86824 1.00000
B4 B 0.83403 0.20018 0.13176 1.00000
B5 B 0.12070 0.24490 0.51371 1.00000
B6 B 0.87930 0.75510 0.48629 1.00000
B7 B 0.62070 0.01371 0.74490 1.00000
B8 B 0.37930 0.98629 0.25510 1.00000
B9 B 0.08258 0.08513 0.74970 1.00000
B10 B 0.91742 0.91487 0.25030 1.00000
B11 B 0.58258 0.24970 0.58513 1.00000
B12 B 0.41742 0.75030 0.41487 1.00000
B13 B 0.72229 0.59901 0.28001 1.00000
B14 B 0.60131 0.40099 0.71999 1.00000
B15 B 0.22229 0.78001 0.09901 1.00000
B16 B 0.10131 0.21999 0.90099 1.00000
B17 B 0.27771 0.40099 0.71999 1.00000
B18 B 0.39869 0.59901 0.28001 1.00000
B19 B 0.77771 0.21999 0.90099 1.00000
B20 B 0.89869 0.78001 0.09901 1.00000
B21 B 0.32357 0.97317 0.87297 1.00000
B22 B 0.16971 0.02683 0.12703 1.00000
B23 B 0.82357 0.37297 0.47317 1.00000
B24 B 0.66971 0.62703 0.52683 1.00000
B25 B 0.67643 0.02683 0.12703 1.00000
B26 B 0.83029 0.97317 0.87297 1.00000
B27 B 0.17643 0.62703 0.52683 1.00000
B28 B 0.33029 0.37297 0.47317 1.00000
