TbPr(Ho2Tm)2
Alexandria ALEXAlex-ID: agm004867586 · 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
ABC2D4_346_spg74
Tb5Pr3 HoTm5 TbPrHo4 Pr
2023-01-28 18:27:15.299496
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004867586).
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 agm004867586
data_agm004867586
_cell_length_a 9.46542
_cell_length_b 9.46542
_cell_length_c 11.73262
_cell_angle_alpha 128.29557
_cell_angle_beta 128.29560
_cell_angle_gamma 88.65688
_cell_volume 524.90638
_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 0.50000 0.50000 0.50000 1.00000
Tb2 Tb 0.99999 0.00000 1.00000 1.00000
Pr1 Pr 0.00000 0.50000 0.00001 1.00000
Pr2 Pr 1.00000 0.50000 0.49999 1.00000
Ho1 Ho 0.25456 0.75003 0.00214 1.00000
Ho2 Ho 0.74996 0.24544 0.49786 1.00000
Ho3 Ho 0.25003 0.75455 0.50214 1.00000
Ho4 Ho 0.74545 0.24997 0.99787 1.00000
Ho5 Ho 0.74776 0.75380 0.00277 1.00000
Ho6 Ho 0.74619 0.75224 0.49723 1.00000
Ho7 Ho 0.25380 0.24777 0.50277 1.00000
Ho8 Ho 0.25223 0.24620 0.99723 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Tm2 Tm 0.50000 0.00000 0.50000 1.00000
Tm3 Tm 0.00000 0.00000 0.50000 1.00000
Tm4 Tm 0.50000 0.50000 1.00000 1.00000
获取直接链接