Y2Er8Th
Alexandria ALEXAlex-ID: agm003518652 · 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
AB2C8_279_spg12
YEr5 Y5Er Er2Th
2022-03-18 13:35:45.654601
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003518652).
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 agm003518652
data_agm003518652
_cell_length_a 5.73729
_cell_length_b 8.83964
_cell_length_c 9.14597
_cell_angle_alpha 61.10192
_cell_angle_beta 75.72566
_cell_angle_gamma 59.32156
_cell_volume 349.25191
_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 1.00000 0.30706 0.38587 1.00000
Y2 Y 0.00000 0.69294 0.61413 1.00000
Er1 Er 0.82740 0.09722 0.22909 1.00000
Er2 Er 0.82740 0.32631 0.77091 1.00000
Er3 Er 0.29188 0.42627 1.00000 1.00000
Er4 Er 0.50000 0.79148 0.41703 1.00000
Er5 Er 0.50000 0.20852 0.58297 1.00000
Er6 Er 0.70812 0.57373 0.00000 1.00000
Er7 Er 0.17260 0.67369 0.22909 1.00000
Er8 Er 0.17260 0.90278 0.77091 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
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