Nd2Sm12Ho5
Alexandria ALEXAlex-ID: agm005672828 · 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
A2B5C12_38_spg12
NdSm5 NdSm3Ho4 Sm
2023-06-26 02:18:21.847790
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672828).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005672828
data_agm005672828
_cell_length_a 10.12281
_cell_length_b 9.46433
_cell_length_c 7.93508
_cell_angle_alpha 89.46482
_cell_angle_beta 90.00000
_cell_angle_gamma 122.32950
_cell_volume 642.34120
_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
Nd1 Nd 0.77513 1.00000 0.00000 1.00000
Nd2 Nd 0.22487 0.00000 1.00000 1.00000
Sm1 Sm 0.84100 0.68200 0.12242 1.00000
Sm2 Sm 0.03973 0.61317 0.79449 1.00000
Sm3 Sm 0.57343 0.61317 0.79449 1.00000
Sm4 Sm 0.16815 0.78853 0.39006 1.00000
Sm5 Sm 0.62038 0.78853 0.39006 1.00000
Sm6 Sm 0.44837 0.89675 0.71038 1.00000
Sm7 Sm 0.55163 0.10325 0.28962 1.00000
Sm8 Sm 0.83185 0.21147 0.60994 1.00000
Sm9 Sm 0.37962 0.21147 0.60994 1.00000
Sm10 Sm 0.96027 0.38683 0.20551 1.00000
Sm11 Sm 0.42657 0.38683 0.20551 1.00000
Sm12 Sm 0.15900 0.31800 0.87758 1.00000
Ho1 Ho 0.24653 0.49305 0.50863 1.00000
Ho2 Ho 0.35235 0.70470 0.08387 1.00000
Ho3 Ho 0.00000 0.00000 0.50000 1.00000
Ho4 Ho 0.64765 0.29530 0.91613 1.00000
Ho5 Ho 0.75347 0.50695 0.49137 1.00000
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