AcY8Er3
Alexandria ALEXAlex-ID: agm006010860 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_285_spg44
YEr5 Y5Er Ac
2023-09-13 05:27:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010860).
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 agm006010860
data_agm006010860
_cell_length_a 8.53284
_cell_length_b 8.53621
_cell_length_c 8.53132
_cell_angle_alpha 96.01151
_cell_angle_beta 136.39844
_cell_angle_gamma 99.85169
_cell_volume 397.60620
_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
Ac1 Ac 0.16698 0.99992 0.16694 1.00000
Y1 Y 0.50180 0.33713 0.16448 1.00000
Y2 Y 0.49803 0.83125 0.66694 1.00000
Y3 Y 0.82724 0.66235 0.16484 1.00000
Y4 Y 0.83603 0.16910 0.66745 1.00000
Y5 Y 0.16672 0.42156 0.25507 1.00000
Y6 Y 0.83349 0.08815 0.25455 1.00000
Y7 Y 0.83345 0.57873 0.74525 1.00000
Y8 Y 0.16669 0.91199 0.74529 1.00000
Er1 Er 0.50047 0.74643 0.24667 1.00000
Er2 Er 0.50016 0.25351 0.75348 1.00000
Er3 Er 0.16895 0.49987 0.66904 1.00000
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