Tb4Pm2Ho5
Alexandria ALEXAlex-ID: agm005652097 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_541_spg12
TbPmHo4 Tb2Ho Tb5Pm3
2023-06-22 09:03:09.734088
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652097).
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 agm005652097
data_agm005652097
_cell_length_a 3.55641
_cell_length_b 9.41660
_cell_length_c 11.80445
_cell_angle_alpha 106.40639
_cell_angle_beta 81.38698
_cell_angle_gamma 112.18890
_cell_volume 350.72851
_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 0.77230 0.45397 0.36424 1.00000
Tb2 Tb 0.31559 0.36172 0.09216 1.00000
Tb3 Tb 0.22770 0.54603 0.63576 1.00000
Tb4 Tb 0.68441 0.63828 0.90784 1.00000
Pm1 Pm 0.86255 0.27071 0.81704 1.00000
Pm2 Pm 0.13745 0.72929 0.18296 1.00000
Ho1 Ho 0.95572 0.09194 0.27336 1.00000
Ho2 Ho 0.04428 0.90806 0.72664 1.00000
Ho3 Ho 0.59068 0.81907 0.45626 1.00000
Ho4 Ho 0.50000 0.00000 0.00000 1.00000
Ho5 Ho 0.40932 0.18093 0.54374 1.00000
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