Tb3Y4Ho5
Alexandria ALEXAlex-ID: agm005695482 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
Tb5YHo12 Tb2Ho Y5Ho
2023-06-29 13:58:50.678183
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695482).
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 agm005695482
data_agm005695482
_cell_length_a 7.10128
_cell_length_b 11.21862
_cell_length_c 12.79163
_cell_angle_alpha 151.28548
_cell_angle_beta 56.34669
_cell_angle_gamma 129.27243
_cell_volume 379.02418
_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 0.58101 0.16486 0.33261 1.00000
Tb2 Tb 0.00000 0.00000 0.50000 1.00000
Tb3 Tb 0.41899 0.83514 0.66739 1.00000
Y1 Y 0.91635 0.83340 0.66651 1.00000
Y2 Y 0.83172 0.66489 0.83258 1.00000
Y3 Y 0.16828 0.33511 0.16742 1.00000
Y4 Y 0.08365 0.16660 0.33349 1.00000
Ho1 Ho 0.33298 0.66684 0.83404 1.00000
Ho2 Ho 0.50000 0.00000 0.50000 1.00000
Ho3 Ho 0.75019 0.49874 0.99921 1.00000
Ho4 Ho 0.24981 0.50126 0.00079 1.00000
Ho5 Ho 0.66702 0.33316 0.16596 1.00000
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