Li3P4Pd7
Alexandria ALEXAlex-ID: agm005702777 · 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
A3B4C7_31_spg12
Li3P4Pd7
2023-06-29 16:25:26.429334
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702777).
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 agm005702777
data_agm005702777
_cell_length_a 3.85793
_cell_length_b 7.76078
_cell_length_c 8.06445
_cell_angle_alpha 68.32332
_cell_angle_beta 76.16104
_cell_angle_gamma 75.60808
_cell_volume 214.40448
_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 0.33302 0.16417 0.16979 1.00000
Li2 Li 0.66698 0.83583 0.83021 1.00000
Li3 Li 0.00000 0.50000 0.50000 1.00000
P1 P 0.66823 0.43372 0.22981 1.00000
P2 P 0.33177 0.56628 0.77019 1.00000
P3 P 0.89149 0.89542 0.32161 1.00000
P4 P 0.10851 0.10458 0.67839 1.00000
Pd1 Pd 0.30029 0.85528 0.54415 1.00000
Pd2 Pd 0.49083 0.25563 0.76271 1.00000
Pd3 Pd 0.82774 0.41796 0.92656 1.00000
Pd4 Pd 0.69971 0.14472 0.45585 1.00000
Pd5 Pd 0.17226 0.58204 0.07344 1.00000
Pd6 Pd 0.00000 0.00000 0.00000 1.00000
Pd7 Pd 0.50917 0.74437 0.23729 1.00000
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