AcTcB14
Alexandria ALEXAlex-ID: agm005755155 · 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
TcB2 B AcB6
2023-07-18 14:06:36.486212
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755155).
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 agm005755155
data_agm005755155
_cell_length_a 5.92563
_cell_length_b 7.54951
_cell_length_c 7.54951
_cell_angle_alpha 67.84408
_cell_angle_beta 66.89288
_cell_angle_gamma 66.89289
_cell_volume 275.60016
_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
Ac1 Ac 0.25000 0.37730 0.12270 1.00000
Ac2 Ac 0.75000 0.62270 0.87730 1.00000
Tc1 Tc 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.50000 1.00000
B1 B 0.66512 0.36700 0.30277 1.00000
B2 B 0.33488 0.63300 0.69723 1.00000
B3 B 0.16512 0.80277 0.86700 1.00000
B4 B 0.83488 0.19723 0.13300 1.00000
B5 B 0.11914 0.24359 0.51814 1.00000
B6 B 0.88086 0.75641 0.48186 1.00000
B7 B 0.61914 0.01814 0.74359 1.00000
B8 B 0.38086 0.98186 0.25641 1.00000
B9 B 0.08232 0.08439 0.75098 1.00000
B10 B 0.91768 0.91561 0.24902 1.00000
B11 B 0.58232 0.25098 0.58439 1.00000
B12 B 0.41768 0.74902 0.41561 1.00000
B13 B 0.72042 0.59930 0.28294 1.00000
B14 B 0.60266 0.40070 0.71706 1.00000
B15 B 0.22042 0.78294 0.09930 1.00000
B16 B 0.10266 0.21706 0.90070 1.00000
B17 B 0.27958 0.40070 0.71706 1.00000
B18 B 0.39734 0.59930 0.28294 1.00000
B19 B 0.77958 0.21706 0.90070 1.00000
B20 B 0.89734 0.78294 0.09930 1.00000
B21 B 0.32309 0.97534 0.87250 1.00000
B22 B 0.17093 0.02466 0.12750 1.00000
B23 B 0.82309 0.37250 0.47534 1.00000
B24 B 0.67093 0.62750 0.52466 1.00000
B25 B 0.67691 0.02466 0.12750 1.00000
B26 B 0.82907 0.97534 0.87250 1.00000
B27 B 0.17691 0.62750 0.52466 1.00000
B28 B 0.32907 0.37250 0.47534 1.00000
