TbHo2Tc
Alexandria ALEXAlex-ID: agm069608639 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_10441_spg62
TbHo2Tc
2024-12-20 17:04:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069608639).
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 agm069608639
data_agm069608639
_cell_length_a 6.25394
_cell_length_b 9.14447
_cell_length_c 14.80759
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 846.83130
_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 0.53130 0.25000 0.85400 1.00000
Tb2 Tb 0.03130 0.75000 0.64600 1.00000
Tb3 Tb 0.46870 0.75000 0.14600 1.00000
Tb4 Tb 0.96870 0.25000 0.35400 1.00000
Tb5 Tb 0.77443 0.25000 0.60679 1.00000
Tb6 Tb 0.27443 0.75000 0.89321 1.00000
Tb7 Tb 0.22557 0.75000 0.39321 1.00000
Tb8 Tb 0.72557 0.25000 0.10679 1.00000
Ho1 Ho 0.06080 0.06520 0.78762 1.00000
Ho2 Ho 0.56080 0.93480 0.71238 1.00000
Ho3 Ho 0.93920 0.56520 0.21238 1.00000
Ho4 Ho 0.43920 0.43480 0.28762 1.00000
Ho5 Ho 0.93920 0.93480 0.21238 1.00000
Ho6 Ho 0.43920 0.06520 0.28762 1.00000
Ho7 Ho 0.06080 0.43480 0.78762 1.00000
Ho8 Ho 0.56080 0.56520 0.71238 1.00000
Ho9 Ho 0.76020 0.56418 0.96417 1.00000
Ho10 Ho 0.26020 0.43582 0.53583 1.00000
Ho11 Ho 0.23980 0.06418 0.03583 1.00000
Ho12 Ho 0.73980 0.93582 0.46417 1.00000
Ho13 Ho 0.23980 0.43582 0.03583 1.00000
Ho14 Ho 0.73980 0.56418 0.46417 1.00000
Ho15 Ho 0.76020 0.93582 0.96417 1.00000
Ho16 Ho 0.26020 0.06418 0.53583 1.00000
Tc1 Tc 0.35553 0.25000 0.68383 1.00000
Tc2 Tc 0.85553 0.75000 0.81617 1.00000
Tc3 Tc 0.64447 0.75000 0.31617 1.00000
Tc4 Tc 0.14447 0.25000 0.18383 1.00000
Tc5 Tc 0.93016 0.25000 0.93813 1.00000
Tc6 Tc 0.43016 0.75000 0.56187 1.00000
Tc7 Tc 0.06984 0.75000 0.06187 1.00000
Tc8 Tc 0.56984 0.25000 0.43813 1.00000
