Ho2TiBi3
Alexandria ALEXAlex-ID: agm033583797 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2914_spg15
Ti2Bi Ti8Bi9 HoBi
2025-04-14 14:19:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033583797).
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 agm033583797
data_agm033583797
_cell_length_a 14.37407
_cell_length_b 13.69997
_cell_length_c 7.51104
_cell_angle_alpha 79.50379
_cell_angle_beta 69.57910
_cell_angle_gamma 30.91711
_cell_volume 690.79432
_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 0.99598 0.99598 0.50402 1.00000
Ho2 Ho 0.41896 0.41896 0.58104 1.00000
Ho3 Ho 0.83104 0.83104 0.66896 1.00000
Ho4 Ho 0.25402 0.25402 0.74598 1.00000
Ho5 Ho 0.74598 0.74598 0.25402 1.00000
Ho6 Ho 0.66896 0.66896 0.83104 1.00000
Ho7 Ho 0.58104 0.58104 0.41896 1.00000
Ho8 Ho 0.50402 0.50402 0.99598 1.00000
Ti1 Ti 0.91732 0.91732 0.08268 1.00000
Ti2 Ti 0.33268 0.33268 0.16732 1.00000
Ti3 Ti 0.16732 0.16732 0.33268 1.00000
Ti4 Ti 0.08268 0.08268 0.91732 1.00000
Bi1 Bi 0.65930 0.16718 0.85751 1.00000
Bi2 Bi 0.16718 0.65930 0.31602 1.00000
Bi3 Bi 0.59070 0.08282 0.39249 1.00000
Bi4 Bi 0.08282 0.59070 0.93398 1.00000
Bi5 Bi 0.48077 0.01923 0.01923 1.00000
Bi6 Bi 0.01923 0.48077 0.48077 1.00000
Bi7 Bi 0.93398 0.39249 0.08282 1.00000
Bi8 Bi 0.39249 0.93398 0.59070 1.00000
Bi9 Bi 0.31602 0.85751 0.16718 1.00000
Bi10 Bi 0.85751 0.31602 0.65930 1.00000
Bi11 Bi 0.76923 0.23077 0.23077 1.00000
Bi12 Bi 0.23077 0.76923 0.76923 1.00000
