Sm12Sb5C2
Alexandria ALEXAlex-ID: agm003370686 · 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
A2B5C12_4_spg12
Sm3SbC Sm5Sb3 Sm
2022-02-06 14:58:46.136079
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370686).
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 agm003370686
data_agm003370686
_cell_length_a 7.71320
_cell_length_b 9.39621
_cell_length_c 9.46973
_cell_angle_alpha 105.49461
_cell_angle_beta 90.00000
_cell_angle_gamma 114.23260
_cell_volume 598.38371
_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 0.99863 0.99726 0.17115 1.00000
Sm2 Sm 0.09364 0.69544 0.92174 1.00000
Sm3 Sm 0.60180 0.69544 0.92174 1.00000
Sm4 Sm 0.11310 0.71210 0.43633 1.00000
Sm5 Sm 0.59900 0.71210 0.43633 1.00000
Sm6 Sm 0.49600 0.99199 0.81140 1.00000
Sm7 Sm 0.50400 0.00801 0.18860 1.00000
Sm8 Sm 0.88690 0.28790 0.56367 1.00000
Sm9 Sm 0.40100 0.28790 0.56367 1.00000
Sm10 Sm 0.90636 0.30456 0.07826 1.00000
Sm11 Sm 0.39820 0.30456 0.07826 1.00000
Sm12 Sm 0.00137 0.00274 0.82885 1.00000
Sb1 Sb 0.29736 0.59473 0.65042 1.00000
Sb2 Sb 0.31454 0.62908 0.15861 1.00000
Sb3 Sb 0.00000 0.00000 0.50000 1.00000
Sb4 Sb 0.68546 0.37092 0.84139 1.00000
Sb5 Sb 0.70264 0.40527 0.34958 1.00000
C1 C 0.74294 1.00000 1.00000 1.00000
C2 C 0.25706 0.00000 0.00000 1.00000
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