Li4Pm3Ag4
Alexandria ALEXAlex-ID: agm005695822 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_1_spg71
Li3Ag PmAg Pm
2023-06-29 20:26:12.145338
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695822).
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 agm005695822
data_agm005695822
_cell_length_a 4.26196
_cell_length_b 7.84335
_cell_length_c 8.59679
_cell_angle_alpha 117.14083
_cell_angle_beta 104.35216
_cell_angle_gamma 90.00000
_cell_volume 245.60914
_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 0.32374 0.13072 0.64749 1.00000
Li2 Li 0.67626 0.48324 0.35251 1.00000
Li3 Li 0.67626 0.86928 0.35251 1.00000
Li4 Li 0.32374 0.51676 0.64749 1.00000
Pm1 Pm 0.12240 0.12240 0.24480 1.00000
Pm2 Pm 0.87760 0.87760 0.75520 1.00000
Pm3 Pm 0.00000 0.50000 0.00000 1.00000
Ag1 Ag 0.21784 0.71784 0.43568 1.00000
Ag2 Ag 0.78216 0.28216 0.56432 1.00000
Ag3 Ag 0.50000 0.80878 0.00000 1.00000
Ag4 Ag 0.50000 0.19122 1.00000 1.00000
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