Tb3DyTm8
Alexandria ALEXAlex-ID: agm017378493 · 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
AB3C8_355_spg1
DyTm5 Tb5Dy TbTm5
2025-03-02 04:35:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017378493).
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 agm017378493
data_agm017378493
_cell_length_a 6.61322
_cell_length_b 7.15716
_cell_length_c 9.06612
_cell_angle_alpha 66.73369
_cell_angle_beta 72.41568
_cell_angle_gamma 74.30410
_cell_volume 370.15641
_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 0.05755 0.13765 0.19391 1.00000
Tb2 Tb 0.27965 0.69103 0.47217 1.00000
Tb3 Tb 0.94706 0.85667 0.80670 1.00000
Dy1 Dy 0.72512 0.30307 0.52864 1.00000
Tm1 Tm 0.61153 0.52553 0.13890 1.00000
Tm2 Tm 0.05798 0.63631 0.19341 1.00000
Tm3 Tm 0.61345 0.02503 0.13861 1.00000
Tm4 Tm 0.72309 0.80256 0.52855 1.00000
Tm5 Tm 0.28158 0.19198 0.47198 1.00000
Tm6 Tm 0.39143 0.96965 0.86167 1.00000
Tm7 Tm 0.39357 0.46868 0.86168 1.00000
Tm8 Tm 0.94659 0.35808 0.80719 1.00000
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