Sm3(In2Ag)2
Alexandria ALEXAlex-ID: agm005608273 · 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
A2B3C4_272_spg12
SmInAg Sm3In5 SmIn3
2023-06-26 15:57:06.250479
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608273).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005608273
data_agm005608273
_cell_length_a 4.90667
_cell_length_b 6.14303
_cell_length_c 8.77700
_cell_angle_alpha 74.40383
_cell_angle_beta 73.76851
_cell_angle_gamma 66.46124
_cell_volume 229.12882
_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 0.32874 0.68648 0.65604 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.67126 0.31352 0.34396 1.00000
In1 In 0.26330 0.39524 0.07816 1.00000
In2 In 0.73670 0.60476 0.92184 1.00000
In3 In 0.03872 0.29216 0.63041 1.00000
In4 In 0.96128 0.70784 0.36959 1.00000
Ag1 Ag 0.39877 0.93140 0.27106 1.00000
Ag2 Ag 0.60123 0.06860 0.72894 1.00000
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