Y8(ErTm)3
Alexandria ALEXAlex-ID: agm005690577 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_31_spg71
ErTm2 ErTm5 Y5Er
2023-06-29 12:31:56.387003
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690577).
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 agm005690577
data_agm005690577
_cell_length_a 5.59986
_cell_length_b 9.57718
_cell_length_c 9.57718
_cell_angle_alpha 101.63733
_cell_angle_beta 72.99439
_cell_angle_gamma 72.99440
_cell_volume 445.92407
_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 0.65780 0.11973 0.56462 1.00000
Y2 Y 0.34220 0.88027 0.43538 1.00000
Y3 Y 0.65780 0.56462 0.11973 1.00000
Y4 Y 0.34220 0.43538 0.88027 1.00000
Y5 Y 0.84108 0.76213 0.55546 1.00000
Y6 Y 0.15892 0.23787 0.44454 1.00000
Y7 Y 0.84108 0.55546 0.76213 1.00000
Y8 Y 0.15892 0.44454 0.23787 1.00000
Er1 Er 0.50000 0.00000 0.00000 1.00000
Er2 Er 0.00000 0.81984 0.18016 1.00000
Er3 Er 1.00000 0.18016 0.81984 1.00000
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
Tm2 Tm 0.79920 0.20104 0.20104 1.00000
Tm3 Tm 0.20080 0.79896 0.79896 1.00000
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