Ac6SnRu2I3
Alexandria ALEXAlex-ID: agm035449540 · 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
AB2C3D6_28_spg12
Ac2Ru2I Ac5Sn2Ru Ac2Ru Ac3RuI3
2025-03-07 08:45:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035449540).
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 agm035449540
data_agm035449540
_cell_length_a 10.93265
_cell_length_b 10.93265
_cell_length_c 10.07965
_cell_angle_alpha 70.41771
_cell_angle_beta 109.58229
_cell_angle_gamma 156.25447
_cell_volume 455.78354
_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
Ac1 Ac 0.33459 0.66541 0.35806 1.00000
Ac2 Ac 0.68352 0.31648 0.05364 1.00000
Ac3 Ac 0.66541 0.33459 0.64194 1.00000
Ac4 Ac 0.02854 0.97146 0.75019 1.00000
Ac5 Ac 0.97146 0.02854 0.24981 1.00000
Ac6 Ac 0.31648 0.68352 0.94636 1.00000
Sn1 Sn 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.83105 0.16895 0.15856 1.00000
Ru2 Ru 0.16895 0.83105 0.84144 1.00000
I1 I 0.50000 0.50000 0.00000 1.00000
I2 I 0.83827 0.16173 0.66075 1.00000
I3 I 0.16173 0.83827 0.33925 1.00000
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