Sm15Mg2Pd5
Alexandria ALEXAlex-ID: agm007986567 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C15_2_spg160
Sm3Pd SmMgPd Sm
2024-12-05 12:59:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007986567).
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 agm007986567
data_agm007986567
_cell_length_a 10.03859
_cell_length_b 10.03996
_cell_length_c 15.63896
_cell_angle_alpha 89.99565
_cell_angle_beta 108.70526
_cell_angle_gamma 120.01239
_cell_volume 1267.82960
_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
Sm1 Sm 0.74430 0.67886 0.42351 1.00000
Sm2 Sm 0.35793 0.67889 0.42358 1.00000
Sm3 Sm 0.74442 0.06555 0.42365 1.00000
Sm4 Sm 0.04985 0.82471 0.87462 1.00000
Sm5 Sm 0.64992 0.82491 0.87451 1.00000
Sm6 Sm 0.04977 0.22524 0.87461 1.00000
Sm7 Sm 0.96907 0.67900 0.64784 1.00000
Sm8 Sm 0.35800 0.67911 0.64788 1.00000
Sm9 Sm 0.96909 0.28992 0.64791 1.00000
Sm10 Sm 0.67840 0.52003 0.19850 1.00000
Sm11 Sm 0.04029 0.52023 0.19845 1.00000
Sm12 Sm 0.67847 0.15858 0.19855 1.00000
Sm13 Sm 0.78173 0.20841 0.99015 1.00000
Sm14 Sm 0.41657 0.20838 0.99022 1.00000
Sm15 Sm 0.78184 0.57342 0.99019 1.00000
Sm16 Sm 0.39205 0.38409 0.77595 1.00000
Sm17 Sm 0.76789 0.38390 0.77583 1.00000
Sm18 Sm 0.39194 0.00784 0.77601 1.00000
Sm19 Sm 0.10196 0.24048 0.34282 1.00000
Sm20 Sm 0.48063 0.24027 0.34280 1.00000
Sm21 Sm 0.10207 0.86164 0.34282 1.00000
Sm22 Sm 0.21113 0.91598 0.12757 1.00000
Sm23 Sm 0.83195 0.91599 0.12737 1.00000
Sm24 Sm 0.21105 0.29519 0.12755 1.00000
Sm25 Sm 0.50035 0.05944 0.55998 1.00000
Sm26 Sm 0.11934 0.05953 0.56013 1.00000
Sm27 Sm 0.50039 0.44077 0.55998 1.00000
Sm28 Sm 0.76825 0.88401 0.65223 1.00000
Sm29 Sm 0.46903 0.73464 0.20349 1.00000
Sm30 Sm 0.94896 0.47443 0.42348 1.00000
Mg1 Mg 0.44037 0.55998 0.99941 1.00000
Mg2 Mg 0.11943 0.55976 0.99949 1.00000
Mg3 Mg 0.44038 0.88044 0.99948 1.00000
Mg4 Mg 0.21524 0.60754 0.82320 1.00000
Pd1 Pd 0.16532 0.36912 0.53419 1.00000
Pd2 Pd 0.73814 0.36896 0.53420 1.00000
Pd3 Pd 0.16515 0.79603 0.53405 1.00000
Pd4 Pd 0.69672 0.06332 0.75990 1.00000
Pd5 Pd 0.12656 0.06332 0.76002 1.00000
Pd6 Pd 0.69686 0.63336 0.75987 1.00000
Pd7 Pd 0.39823 0.91191 0.31026 1.00000
Pd8 Pd 0.82386 0.91202 0.31036 1.00000
Pd9 Pd 0.39821 0.48628 0.31016 1.00000
Pd10 Pd 0.99613 0.99813 0.99405 1.00000
