Li4Pr3Hg4
Alexandria ALEXAlex-ID: agm005696960 · 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
LiPrHg Li3Hg PrHg
2023-06-29 20:45:07.964100
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696960).
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 agm005696960
data_agm005696960
_cell_length_a 4.65605
_cell_length_b 7.83260
_cell_length_c 8.62455
_cell_angle_alpha 117.00624
_cell_angle_beta 105.66011
_cell_angle_gamma 90.00000
_cell_volume 267.06106
_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 0.32244 0.13612 0.64488 1.00000
Li2 Li 0.67756 0.49125 0.35512 1.00000
Li3 Li 0.67756 0.86388 0.35512 1.00000
Li4 Li 0.32244 0.50875 0.64488 1.00000
Pr1 Pr 0.11777 0.11777 0.23554 1.00000
Pr2 Pr 0.88223 0.88223 0.76446 1.00000
Pr3 Pr 0.00000 0.50000 0.00000 1.00000
Hg1 Hg 0.22302 0.72302 0.44604 1.00000
Hg2 Hg 0.77698 0.27698 0.55396 1.00000
Hg3 Hg 0.50000 0.79773 0.00000 1.00000
Hg4 Hg 0.50000 0.20227 1.00000 1.00000
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