Y3ErTe
Alexandria ALEXAlex-ID: agm005804529 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_2567_spg12
YEr5 Y5Er Y3Te2
2023-07-06 04:50:03.727023
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804529).
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 agm005804529
data_agm005804529
_cell_length_a 3.74505
_cell_length_b 9.96971
_cell_length_c 9.00481
_cell_angle_alpha 105.41847
_cell_angle_beta 102.00209
_cell_angle_gamma 90.00000
_cell_volume 316.48241
_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 0.00173 0.20433 0.00347 1.00000
Y2 Y 0.99827 0.79567 0.99653 1.00000
Y3 Y 0.32160 0.15479 0.64320 1.00000
Y4 Y 0.67840 0.84521 0.35680 1.00000
Y5 Y 0.10058 0.54165 0.20115 1.00000
Y6 Y 0.89942 0.45835 0.79885 1.00000
Er1 Er 0.70296 0.34047 0.40592 1.00000
Er2 Er 0.29704 0.65953 0.59408 1.00000
Te1 Te 0.86159 0.93047 0.72318 1.00000
Te2 Te 0.13841 0.06953 0.27682 1.00000
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