Tb2Pr2DyY2
Alexandria ALEXAlex-ID: agm022593045 · 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
AB2C2D2_136_spg164
TbPrY4 TbDy5 Tb5Dy Tb2Pr3Dy
2025-05-24 01:15:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022593045).
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 agm022593045
data_agm022593045
_cell_length_a 6.23397
_cell_length_b 6.23397
_cell_length_c 8.06702
_cell_angle_alpha 82.48150
_cell_angle_beta 97.51850
_cell_angle_gamma 131.57958
_cell_volume 232.08570
_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 0.42897 0.57103 0.78836 1.00000
Tb2 Tb 0.57103 0.42897 0.21164 1.00000
Pr1 Pr 0.28612 0.71388 0.35725 1.00000
Pr2 Pr 0.71388 0.28612 0.64275 1.00000
Dy1 Dy 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.85768 0.14232 0.07240 1.00000
Y2 Y 0.14232 0.85768 0.92760 1.00000
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