La5Ge5Pd2
Alexandria ALEXAlex-ID: agm005659929 · 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
A2B5C5_19_spg12
LaGePd LaGe
2023-06-19 00:15:52.961592
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659929).
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 agm005659929
data_agm005659929
_cell_length_a 4.46586
_cell_length_b 8.22838
_cell_length_c 8.90094
_cell_angle_alpha 88.26848
_cell_angle_beta 75.47132
_cell_angle_gamma 74.25420
_cell_volume 304.48886
_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
La1 La 0.00000 0.50000 0.50000 1.00000
La2 La 0.69399 0.69298 0.91903 1.00000
La3 La 0.37425 0.93298 0.31853 1.00000
La4 La 0.62575 0.06702 0.68147 1.00000
La5 La 0.30601 0.30702 0.08097 1.00000
Ge1 Ge 0.72065 0.22078 0.33793 1.00000
Ge2 Ge 0.94328 0.30133 0.81210 1.00000
Ge3 Ge 0.05672 0.69867 0.18790 1.00000
Ge4 Ge 0.27935 0.77922 0.66207 1.00000
Ge5 Ge 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.38951 0.46656 0.75443 1.00000
Pd2 Pd 0.61049 0.53344 0.24557 1.00000
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