SmHo5Er12
Alexandria ALEXAlex-ID: agm067869741 · 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
AB5C12_18_spg12
Sm3(Ho2Er)2 HoEr5 Sm2Ho7
2025-03-24 10:38:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067869741).
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 agm067869741
data_agm067869741
_cell_length_a 6.14303
_cell_length_b 6.14303
_cell_length_c 17.45003
_cell_angle_alpha 83.26869
_cell_angle_beta 96.73131
_cell_angle_gamma 59.97934
_cell_volume 554.26811
_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 0.00000 0.00000 0.50000 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Ho2 Ho 0.33349 0.33349 0.00000 1.00000
Ho3 Ho 0.66651 0.66651 0.00000 1.00000
Ho4 Ho 0.33329 0.33329 0.50000 1.00000
Ho5 Ho 0.66671 0.66671 0.50000 1.00000
Er1 Er 0.22157 0.77843 0.83302 1.00000
Er2 Er 0.77843 0.22157 0.16698 1.00000
Er3 Er 0.77671 0.22329 0.66794 1.00000
Er4 Er 0.22329 0.77671 0.33206 1.00000
Er5 Er 0.11094 0.55488 0.66797 1.00000
Er6 Er 0.55488 0.11094 0.33203 1.00000
Er7 Er 0.44512 0.88906 0.66797 1.00000
Er8 Er 0.88906 0.44512 0.33203 1.00000
Er9 Er 0.44508 0.88820 0.16686 1.00000
Er10 Er 0.11180 0.55492 0.16686 1.00000
Er11 Er 0.88820 0.44508 0.83314 1.00000
Er12 Er 0.55492 0.11180 0.83314 1.00000
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