Pr2Sm5Dy2
Alexandria ALEXAlex-ID: agm009262147 · 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
A2B2C5_603_spg2
SmDy5 Pr3SmDy4 PrSm4
2024-05-05 07:36:27.853903
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009262147).
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 agm009262147
data_agm009262147
_cell_length_a 8.10714
_cell_length_b 8.10714
_cell_length_c 8.12262
_cell_angle_alpha 72.53303
_cell_angle_beta 72.53303
_cell_angle_gamma 36.86000
_cell_volume 303.79506
_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
Pr1 Pr 0.44489 0.44489 0.83255 1.00000
Pr2 Pr 0.55511 0.55511 0.16745 1.00000
Sm1 Sm 0.33265 0.33265 0.49962 1.00000
Sm2 Sm 0.66735 0.66735 0.50038 1.00000
Sm3 Sm 0.22300 0.22300 0.16595 1.00000
Sm4 Sm 0.77700 0.77700 0.83405 1.00000
Sm5 Sm 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.11157 0.11157 0.83331 1.00000
Dy2 Dy 0.88843 0.88843 0.16669 1.00000
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