HoTcB14
Alexandria ALEXAlex-ID: agm005755256 · 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
HoB12 TcB2
2023-07-18 14:07:59.182822
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755256).
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 agm005755256
data_agm005755256
_cell_length_a 5.88384
_cell_length_b 7.38405
_cell_length_c 7.38405
_cell_angle_alpha 67.56741
_cell_angle_beta 66.52087
_cell_angle_gamma 66.52086
_cell_volume 260.24545
_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
Ho1 Ho 0.25000 0.37545 0.12455 1.00000
Ho2 Ho 0.75000 0.62455 0.87545 1.00000
Tc1 Tc 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.00000 0.50000 1.00000
B1 B 0.66746 0.36793 0.29716 1.00000
B2 B 0.33254 0.63207 0.70284 1.00000
B3 B 0.16746 0.79716 0.86793 1.00000
B4 B 0.83254 0.20284 0.13207 1.00000
B5 B 0.12212 0.24864 0.50712 1.00000
B6 B 0.87788 0.75136 0.49288 1.00000
B7 B 0.62212 0.00712 0.74864 1.00000
B8 B 0.37788 0.99288 0.25136 1.00000
B9 B 0.08290 0.08739 0.74681 1.00000
B10 B 0.91710 0.91261 0.25319 1.00000
B11 B 0.58290 0.24681 0.58739 1.00000
B12 B 0.41710 0.75319 0.41261 1.00000
B13 B 0.72534 0.59774 0.27429 1.00000
B14 B 0.59737 0.40226 0.72571 1.00000
B15 B 0.22534 0.77429 0.09774 1.00000
B16 B 0.09737 0.22571 0.90226 1.00000
B17 B 0.27466 0.40226 0.72571 1.00000
B18 B 0.40263 0.59774 0.27429 1.00000
B19 B 0.77466 0.22571 0.90226 1.00000
B20 B 0.90263 0.77429 0.09774 1.00000
B21 B 0.32425 0.96965 0.87336 1.00000
B22 B 0.16726 0.03035 0.12664 1.00000
B23 B 0.82425 0.37336 0.46965 1.00000
B24 B 0.66726 0.62664 0.53035 1.00000
B25 B 0.67575 0.03035 0.12664 1.00000
B26 B 0.83274 0.96965 0.87336 1.00000
B27 B 0.17575 0.62664 0.53035 1.00000
B28 B 0.33274 0.37336 0.46965 1.00000
