Ce2Y5Er4
Alexandria ALEXAlex-ID: agm005676708 · 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
A2B4C5_643_spg12
YEr5 Y5Er Ce
2023-06-24 13:21:36.951700
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676708).
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
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# CIF generated by HEAS from Alexandria entry agm005676708
data_agm005676708
_cell_length_a 3.47037
_cell_length_b 11.54328
_cell_length_c 8.89380
_cell_angle_alpha 94.09653
_cell_angle_beta 101.26205
_cell_angle_gamma 89.99330
_cell_volume 348.49320
_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
Ce1 Ce 0.72020 0.35778 0.44083 1.00000
Ce2 Ce 0.27980 0.64222 0.55917 1.00000
Y1 Y 0.90392 0.46538 0.80576 1.00000
Y2 Y 0.09608 0.53462 0.19424 1.00000
Y3 Y 0.82294 0.92917 0.64541 1.00000
Y4 Y 0.50000 0.00000 0.00000 1.00000
Y5 Y 0.17706 0.07083 0.35459 1.00000
Er1 Er 0.35982 0.20318 0.71942 1.00000
Er2 Er 0.96724 0.74290 0.93333 1.00000
Er3 Er 0.64018 0.79682 0.28058 1.00000
Er4 Er 0.03276 0.25710 0.06667 1.00000
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