Sm3Ga2Ru
Alexandria ALEXAlex-ID: agm005674501 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_315_spg62
Sm7Ru3 SmGa Sm3(GaRu)2
2023-08-17 23:32:39.297871
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674501).
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 agm005674501
data_agm005674501
_cell_length_a 4.41503
_cell_length_b 11.04398
_cell_length_c 12.16494
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 593.15651
_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 0.25000 0.38589 0.05272 1.00000
Sm2 Sm 0.75000 0.61411 0.94728 1.00000
Sm3 Sm 0.75000 0.88589 0.44728 1.00000
Sm4 Sm 0.25000 0.11411 0.55272 1.00000
Sm5 Sm 0.25000 0.71026 0.23305 1.00000
Sm6 Sm 0.75000 0.28974 0.76695 1.00000
Sm7 Sm 0.75000 0.21026 0.26695 1.00000
Sm8 Sm 0.25000 0.78974 0.73305 1.00000
Sm9 Sm 0.25000 0.44557 0.38393 1.00000
Sm10 Sm 0.75000 0.55443 0.61607 1.00000
Sm11 Sm 0.75000 0.94557 0.11607 1.00000
Sm12 Sm 0.25000 0.05443 0.88393 1.00000
Ga1 Ga 0.25000 0.70163 0.48881 1.00000
Ga2 Ga 0.75000 0.29837 0.51119 1.00000
Ga3 Ga 0.75000 0.20163 0.01119 1.00000
Ga4 Ga 0.25000 0.79837 0.98881 1.00000
Ga5 Ga 0.25000 0.00846 0.29758 1.00000
Ga6 Ga 0.75000 0.99154 0.70242 1.00000
Ga7 Ga 0.75000 0.50846 0.20242 1.00000
Ga8 Ga 0.25000 0.49154 0.79758 1.00000
Ru1 Ru 0.25000 0.13608 0.11520 1.00000
Ru2 Ru 0.75000 0.86392 0.88480 1.00000
Ru3 Ru 0.75000 0.63608 0.38480 1.00000
Ru4 Ru 0.25000 0.36392 0.61520 1.00000
