Sm2(HoSc)5
Alexandria ALEXAlex-ID: agm003374482 · 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
A2B5C5_47_spg12
Sm2Ho7 Sm Sc
2022-02-08 21:23:03.796959
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374482).
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 agm003374482
data_agm003374482
_cell_length_a 5.41474
_cell_length_b 6.43721
_cell_length_c 11.65331
_cell_angle_alpha 108.18598
_cell_angle_beta 90.00000
_cell_angle_gamma 114.87129
_cell_volume 346.02219
_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 0.09057 0.18114 0.73212 1.00000
Sm2 Sm 0.90943 0.81886 0.26788 1.00000
Ho1 Ho 0.50000 0.00000 0.50000 1.00000
Ho2 Ho 0.65624 0.31247 0.99677 1.00000
Ho3 Ho 0.60064 0.20129 0.26140 1.00000
Ho4 Ho 0.39936 0.79871 0.73860 1.00000
Ho5 Ho 0.34376 0.68753 0.00323 1.00000
Sc1 Sc 0.17777 0.35554 0.47386 1.00000
Sc2 Sc 0.76027 0.52054 0.77207 1.00000
Sc3 Sc 0.23973 0.47946 0.22793 1.00000
Sc4 Sc 0.82223 0.64446 0.52614 1.00000
Sc5 Sc 0.00000 0.00000 0.00000 1.00000
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