Sm2DyHo4
Alexandria ALEXAlex-ID: agm017138547 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1994_spg12
Sm2DyHo6 Sm3(DyHo2)2 Sm2Ho7
2025-05-08 15:17:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017138547).
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 agm017138547
data_agm017138547
_cell_length_a 17.77584
_cell_length_b 17.77584
_cell_length_c 17.77584
_cell_angle_alpha 168.52095
_cell_angle_beta 168.52095
_cell_angle_gamma 16.26122
_cell_volume 222.44180
_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
Sm1 Sm 0.85732 0.85732 0.00000 1.00000
Sm2 Sm 0.14268 0.14268 0.00000 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.71472 0.71472 0.00000 1.00000
Ho2 Ho 0.28528 0.28528 0.00000 1.00000
Ho3 Ho 0.57053 0.57053 0.00000 1.00000
Ho4 Ho 0.42947 0.42947 0.00000 1.00000
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