Li3YAg2
Alexandria ALEXAlex-ID: agm005698443 · 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
AB2C3_865_spg12
Li3Ag YAg
2023-08-22 10:10:14.736521
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698443).
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 agm005698443
data_agm005698443
_cell_length_a 4.17658
_cell_length_b 7.51458
_cell_length_c 9.24526
_cell_angle_alpha 121.68656
_cell_angle_beta 90.00000
_cell_angle_gamma 106.13482
_cell_volume 233.37257
_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 0.26690 0.53380 0.42234 1.00000
Li2 Li 0.93526 0.87052 0.59266 1.00000
Li3 Li 0.57413 0.14826 0.68537 1.00000
Li4 Li 0.42587 0.85174 0.31463 1.00000
Li5 Li 0.06474 0.12948 0.40734 1.00000
Li6 Li 0.73310 0.46620 0.57766 1.00000
Y1 Y 0.87217 0.74435 0.99684 1.00000
Y2 Y 0.12783 0.25565 0.00316 1.00000
Ag1 Ag 0.42424 0.84849 0.79556 1.00000
Ag2 Ag 0.57576 0.15151 0.20444 1.00000
Ag3 Ag 0.79596 0.59192 0.25106 1.00000
Ag4 Ag 0.20404 0.40808 0.74894 1.00000
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