Ba3(DyIn)2
Alexandria ALEXAlex-ID: agm009745951 · 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
A2B2C3_23_spg12
Ba3In Dy2In
2024-07-10 02:43:28.268921
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009745951).
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 agm009745951
data_agm009745951
_cell_length_a 7.06166
_cell_length_b 7.06166
_cell_length_c 10.34955
_cell_angle_alpha 86.10339
_cell_angle_beta 86.10339
_cell_angle_gamma 31.54273
_cell_volume 269.31649
_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
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Ba2 Ba 0.75490 0.75490 0.30066 1.00000
Ba3 Ba 0.24510 0.24510 0.69934 1.00000
Dy1 Dy 0.87403 0.87403 0.97750 1.00000
Dy2 Dy 0.12597 0.12597 0.02250 1.00000
In1 In 0.52064 0.52064 0.80041 1.00000
In2 In 0.47936 0.47936 0.19959 1.00000
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