Tb12Ho6Tl
Alexandria ALEXAlex-ID: agm003692575 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C12_24_spg148
Tb2Ho7 Tb2Ho Tb5Tl3
2022-04-13 07:37:33.402272
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003692575).
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 agm003692575
data_agm003692575
_cell_length_a 8.45776
_cell_length_b 8.45776
_cell_length_c 8.45776
_cell_angle_alpha 88.74277
_cell_angle_beta 88.74277
_cell_angle_gamma 88.74277
_cell_volume 604.58448
_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
Tb1 Tb 0.78093 0.53923 0.43288 1.00000
Tb2 Tb 0.43288 0.78093 0.53923 1.00000
Tb3 Tb 0.53923 0.43288 0.78093 1.00000
Tb4 Tb 0.21907 0.46077 0.56712 1.00000
Tb5 Tb 0.56712 0.21907 0.46077 1.00000
Tb6 Tb 0.46077 0.56712 0.21907 1.00000
Tb7 Tb 0.01301 0.18313 0.36308 1.00000
Tb8 Tb 0.81687 0.63692 0.98699 1.00000
Tb9 Tb 0.63692 0.98699 0.81687 1.00000
Tb10 Tb 0.98699 0.81687 0.63692 1.00000
Tb11 Tb 0.18313 0.36308 0.01301 1.00000
Tb12 Tb 0.36308 0.01301 0.18313 1.00000
Ho1 Ho 0.74186 0.90312 0.29343 1.00000
Ho2 Ho 0.70657 0.25814 0.09688 1.00000
Ho3 Ho 0.09688 0.70657 0.25814 1.00000
Ho4 Ho 0.25814 0.09688 0.70657 1.00000
Ho5 Ho 0.29343 0.74186 0.90312 1.00000
Ho6 Ho 0.90312 0.29343 0.74186 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
获取直接链接