SmTcB14
Alexandria ALEXAlex-ID: agm005755136 · 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
SmB6 TcB2 B
2023-07-18 14:06:49.239575
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755136).
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 agm005755136
data_agm005755136
_cell_length_a 5.88881
_cell_length_b 7.43186
_cell_length_c 7.43186
_cell_angle_alpha 67.61319
_cell_angle_beta 66.65999
_cell_angle_gamma 66.65999
_cell_volume 264.35403
_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
Sm1 Sm 0.25000 0.37588 0.12412 1.00000
Sm2 Sm 0.75000 0.62412 0.87588 1.00000
Tc1 Tc 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.50000 1.00000
B1 B 0.66673 0.36848 0.29805 1.00000
B2 B 0.33327 0.63152 0.70195 1.00000
B3 B 0.16673 0.79805 0.86848 1.00000
B4 B 0.83327 0.20195 0.13152 1.00000
B5 B 0.12123 0.24683 0.51070 1.00000
B6 B 0.87877 0.75317 0.48930 1.00000
B7 B 0.62123 0.01070 0.74683 1.00000
B8 B 0.37877 0.98930 0.25317 1.00000
B9 B 0.08305 0.08567 0.74822 1.00000
B10 B 0.91695 0.91433 0.25178 1.00000
B11 B 0.58305 0.24822 0.58567 1.00000
B12 B 0.41695 0.75178 0.41433 1.00000
B13 B 0.72395 0.59855 0.27697 1.00000
B14 B 0.59947 0.40145 0.72303 1.00000
B15 B 0.22395 0.77697 0.09855 1.00000
B16 B 0.09947 0.22303 0.90145 1.00000
B17 B 0.27605 0.40145 0.72303 1.00000
B18 B 0.40053 0.59855 0.27697 1.00000
B19 B 0.77605 0.22303 0.90145 1.00000
B20 B 0.90053 0.77697 0.09855 1.00000
B21 B 0.32396 0.97121 0.87327 1.00000
B22 B 0.16843 0.02879 0.12673 1.00000
B23 B 0.82396 0.37327 0.47121 1.00000
B24 B 0.66843 0.62673 0.52879 1.00000
B25 B 0.67604 0.02879 0.12673 1.00000
B26 B 0.83157 0.97121 0.87327 1.00000
B27 B 0.17604 0.62673 0.52879 1.00000
B28 B 0.33157 0.37327 0.47121 1.00000
