Sm6HgRh2
Alexandria ALEXAlex-ID: agm003498769 · 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
AB2C6_679_spg12
Sm15Hg2Rh5 Sm4HgRh Sm5Rh3
2022-03-10 15:12:39.623185
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003498769).
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 agm003498769
data_agm003498769
_cell_length_a 5.13454
_cell_length_b 5.76155
_cell_length_c 9.25051
_cell_angle_alpha 80.02953
_cell_angle_beta 90.00000
_cell_angle_gamma 116.46089
_cell_volume 240.36281
_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 0.96366 0.92732 0.84419 1.00000
Sm2 Sm 0.71127 0.42254 0.16573 1.00000
Sm3 Sm 0.28873 0.57746 0.83427 1.00000
Sm4 Sm 0.65814 0.31628 0.60890 1.00000
Sm5 Sm 0.34186 0.68372 0.39110 1.00000
Sm6 Sm 0.03634 0.07268 0.15581 1.00000
Hg1 Hg 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.62325 0.24649 0.90039 1.00000
Rh2 Rh 0.37675 0.75351 0.09961 1.00000
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