Sr3(SbRh)4
Alexandria ALEXAlex-ID: agm009774584 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_1_spg71
Sr16Sb11 Sr(SbRh)2 Sr10Sb19Rh28
2024-04-06 15:02:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009774584).
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 agm009774584
data_agm009774584
_cell_length_a 8.58342
_cell_length_b 8.58342
_cell_length_c 8.58342
_cell_angle_alpha 149.11326
_cell_angle_beta 128.18431
_cell_angle_gamma 61.55096
_cell_volume 252.85930
_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
Sr1 Sr 0.87370 0.87370 0.00000 1.00000
Sr2 Sr 0.12630 0.12630 0.00000 1.00000
Sr3 Sr 0.50000 0.00000 0.50000 1.00000
Sb1 Sb 0.28046 0.78046 0.50000 1.00000
Sb2 Sb 0.71954 0.21954 0.50000 1.00000
Sb3 Sb 0.20055 0.50000 0.70055 1.00000
Sb4 Sb 0.79945 0.50000 0.29945 1.00000
Rh1 Rh 0.87496 0.67936 0.19560 1.00000
Rh2 Rh 0.51624 0.32064 0.19560 1.00000
Rh3 Rh 0.12504 0.32064 0.80440 1.00000
Rh4 Rh 0.48376 0.67936 0.80440 1.00000
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