Y2Ho4Sc3
Alexandria ALEXAlex-ID: agm003336742 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_302_spg15
YHo8 Y5Ho Sc
2022-01-30 03:34:39.375260
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003336742).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003336742
data_agm003336742
_cell_length_a 6.21144
_cell_length_b 9.25047
_cell_length_c 9.25047
_cell_angle_alpha 89.06542
_cell_angle_beta 86.68749
_cell_angle_gamma 86.68749
_cell_volume 529.70042
_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 0.57160 0.22613 0.34604 1.00000
Y2 Y 0.92840 0.65396 0.77387 1.00000
Y3 Y 0.42840 0.77387 0.65396 1.00000
Y4 Y 0.07160 0.34604 0.22613 1.00000
Ho1 Ho 0.37963 0.90447 0.30571 1.00000
Ho2 Ho 0.12037 0.69429 0.09553 1.00000
Ho3 Ho 0.62037 0.09553 0.69429 1.00000
Ho4 Ho 0.87963 0.30571 0.90447 1.00000
Ho5 Ho 0.11545 0.18870 0.55967 1.00000
Ho6 Ho 0.38455 0.44033 0.81130 1.00000
Ho7 Ho 0.88455 0.81130 0.44033 1.00000
Ho8 Ho 0.61545 0.55967 0.18870 1.00000
Sc1 Sc 0.90831 0.02231 0.15340 1.00000
Sc2 Sc 0.59169 0.84660 0.97769 1.00000
Sc3 Sc 0.09169 0.97769 0.84660 1.00000
Sc4 Sc 0.40831 0.15340 0.02231 1.00000
Sc5 Sc 0.25000 0.53517 0.46483 1.00000
Sc6 Sc 0.75000 0.46483 0.53517 1.00000
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