TbPr2(SmDy2)3
Alexandria ALEXAlex-ID: agm017396249 · 空间群: P-31m (#162)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_602_spg2
PrSm4 Tb(SmDy3)2 Pr
2025-02-28 15:43:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017396249).
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 agm017396249
data_agm017396249
_cell_length_a 6.24586
_cell_length_b 6.24586
_cell_length_c 11.61396
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 392.36949
_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 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.33333 0.66667 0.00000 1.00000
Pr2 Pr 0.66667 0.33333 0.00000 1.00000
Sm1 Sm 0.66667 0.33333 0.50000 1.00000
Sm2 Sm 0.33333 0.66667 0.50000 1.00000
Sm3 Sm 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.33232 0.00000 0.25088 1.00000
Dy2 Dy 0.33232 0.33232 0.74912 1.00000
Dy3 Dy 0.66768 0.00000 0.74912 1.00000
Dy4 Dy 0.00000 0.33232 0.25088 1.00000
Dy5 Dy 0.66768 0.66768 0.25088 1.00000
Dy6 Dy 0.00000 0.66768 0.74912 1.00000
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