LiY(ErCd2)2
Alexandria ALEXAlex-ID: agm004792136 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_337_spg166
YErCd2 LiCd ErCd
2022-07-17 01:42:07.415107
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004792136).
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 agm004792136
data_agm004792136
_cell_length_a 5.17259
_cell_length_b 5.17259
_cell_length_c 8.99435
_cell_angle_alpha 73.28886
_cell_angle_beta 73.28886
_cell_angle_gamma 60.00000
_cell_volume 196.58587
_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
Li1 Li 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.75145 0.75145 0.74566 1.00000
Er2 Er 0.24855 0.24855 0.25434 1.00000
Cd1 Cd 0.37980 0.37980 0.86061 1.00000
Cd2 Cd 0.87326 0.87326 0.38022 1.00000
Cd3 Cd 0.12674 0.12674 0.61978 1.00000
Cd4 Cd 0.62020 0.62020 0.13939 1.00000
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