Tb5Pr3Ho4
Alexandria ALEXAlex-ID: agm026493552 · 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_155_spg2
Tb2Ho Tb5Pr3 TbPrHo4
2025-01-06 21:56:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm026493552).
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}
}
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# CIF generated by HEAS from Alexandria entry agm026493552
data_agm026493552
_cell_length_a 6.26010
_cell_length_b 7.23190
_cell_length_c 8.91007
_cell_angle_alpha 89.98668
_cell_angle_beta 103.52663
_cell_angle_gamma 89.99139
_cell_volume 392.19168
_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 0.77967 0.49992 0.83690 1.00000
Tb2 Tb 0.00000 0.50000 0.50000 1.00000
Tb3 Tb 0.27918 0.25049 0.83659 1.00000
Tb4 Tb 0.72082 0.74951 0.16341 1.00000
Tb5 Tb 0.22033 0.50008 0.16310 1.00000
Pr1 Pr 0.50042 0.25004 0.49985 1.00000
Pr2 Pr 0.00000 0.00000 0.50000 1.00000
Pr3 Pr 0.49958 0.74996 0.50015 1.00000
Ho1 Ho 0.77897 0.99970 0.83743 1.00000
Ho2 Ho 0.27879 0.74950 0.83637 1.00000
Ho3 Ho 0.72121 0.25050 0.16363 1.00000
Ho4 Ho 0.22103 0.00030 0.16257 1.00000
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