SmHo5Sc
Alexandria ALEXAlex-ID: agm005756833 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_916_spg11
SmHo5 Sc
2023-07-15 03:41:42.061194
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756833).
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 agm005756833
data_agm005756833
_cell_length_a 3.54785
_cell_length_b 9.16573
_cell_length_c 13.62439
_cell_angle_alpha 102.68779
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 432.22802
_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 0.75000 0.11231 0.13482 1.00000
Sm2 Sm 0.25000 0.88769 0.86518 1.00000
Ho1 Ho 0.25000 0.00773 0.37116 1.00000
Ho2 Ho 0.75000 0.20234 0.88368 1.00000
Ho3 Ho 0.75000 0.33004 0.50703 1.00000
Ho4 Ho 0.25000 0.41794 0.08270 1.00000
Ho5 Ho 0.25000 0.34888 0.72144 1.00000
Ho6 Ho 0.75000 0.65112 0.27856 1.00000
Ho7 Ho 0.75000 0.58206 0.91730 1.00000
Ho8 Ho 0.25000 0.66996 0.49297 1.00000
Ho9 Ho 0.25000 0.79766 0.11632 1.00000
Ho10 Ho 0.75000 0.99227 0.62884 1.00000
Sc1 Sc 0.25000 0.35113 0.30738 1.00000
Sc2 Sc 0.75000 0.64887 0.69262 1.00000
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