Sm2ScAg4
Alexandria ALEXAlex-ID: agm006010179 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_2702_spg139
ScAg2 SmAg
2023-10-15 18:09:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010179).
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 agm006010179
data_agm006010179
_cell_length_a 5.21194
_cell_length_b 5.21194
_cell_length_c 7.41125
_cell_angle_alpha 110.58667
_cell_angle_beta 110.58667
_cell_angle_gamma 90.00000
_cell_volume 174.66573
_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 0.72460 0.72460 0.44920 1.00000
Sm2 Sm 0.27540 0.27540 0.55080 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.38912 0.88912 0.77824 1.00000
Ag2 Ag 0.88912 0.38912 0.77824 1.00000
Ag3 Ag 0.61088 0.11088 0.22176 1.00000
Ag4 Ag 0.11088 0.61088 0.22176 1.00000
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