YHo6Er
Alexandria ALEXAlex-ID: agm023655700 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1533_spg1
YHo8 Ho7Er2 Y5Ho
2024-12-04 17:57:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023655700).
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 agm023655700
data_agm023655700
_cell_length_a 6.65708
_cell_length_b 7.22396
_cell_length_c 11.05890
_cell_angle_alpha 80.58471
_cell_angle_beta 85.84457
_cell_angle_gamma 74.26430
_cell_volume 504.77892
_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
Y1 Y 0.97850 0.56255 0.02120 1.00000
Y2 Y 0.97819 0.06280 0.02107 1.00000
Ho1 Ho 0.77086 0.18762 0.72853 1.00000
Ho2 Ho 0.77118 0.68741 0.72864 1.00000
Ho3 Ho 0.27221 0.18684 0.23007 1.00000
Ho4 Ho 0.27253 0.68666 0.23015 1.00000
Ho5 Ho 0.72905 0.31242 0.27188 1.00000
Ho6 Ho 0.22971 0.31295 0.76967 1.00000
Ho7 Ho 0.72938 0.81216 0.27195 1.00000
Ho8 Ho 0.23003 0.81264 0.76972 1.00000
Ho9 Ho 0.02096 0.93744 0.47891 1.00000
Ho10 Ho 0.51874 0.93794 0.97892 1.00000
Ho11 Ho 0.47918 0.06275 0.52079 1.00000
Ho12 Ho 0.47952 0.56244 0.52091 1.00000
Er1 Er 0.51890 0.43796 0.97872 1.00000
Er2 Er 0.02106 0.43742 0.47887 1.00000
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