Tb3Ho5Rh
Alexandria ALEXAlex-ID: agm072399062 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1094_spg42
Tb2Ho7 Tb2Ho Ho3Rh
2024-09-24 19:22:46.473986
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072399062).
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
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# CIF generated by HEAS from Alexandria entry agm072399062
data_agm072399062
_cell_length_a 6.12637
_cell_length_b 6.60900
_cell_length_c 7.13161
_cell_angle_alpha 104.93748
_cell_angle_beta 106.43035
_cell_angle_gamma 86.16780
_cell_volume 267.59655
_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 0.53867 0.96586 0.90121 1.00000
Tb2 Tb 0.44197 0.48324 0.51153 1.00000
Tb3 Tb 0.44590 0.50273 0.01791 1.00000
Ho1 Ho 0.52240 0.95277 0.40221 1.00000
Ho2 Ho 0.00516 0.74042 0.71195 1.00000
Ho3 Ho 0.90973 0.25827 0.32239 1.00000
Ho4 Ho 0.92209 0.27009 0.82043 1.00000
Ho5 Ho 0.99836 0.72491 0.20475 1.00000
Rh1 Rh 0.21571 0.10174 0.10764 1.00000
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