Sr3Mg2Ni13
Alexandria ALEXAlex-ID: agm007889255 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C13_6_spg166
Sr2Ni3 MgNi2 Ni
2024-05-27 15:44:28.548746
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007889255).
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 agm007889255
data_agm007889255
_cell_length_a 12.56688
_cell_length_b 12.56688
_cell_length_c 12.56688
_cell_angle_alpha 23.18781
_cell_angle_beta 23.18781
_cell_angle_gamma 23.18781
_cell_volume 270.10386
_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 0.50000 0.50000 0.50000 1.00000
Sr2 Sr 0.04319 0.04319 0.04319 1.00000
Sr3 Sr 0.95681 0.95681 0.95681 1.00000
Mg1 Mg 0.41021 0.41021 0.41021 1.00000
Mg2 Mg 0.58979 0.58979 0.58979 1.00000
Ni1 Ni 0.16542 0.16542 0.16542 1.00000
Ni2 Ni 0.83458 0.83458 0.83458 1.00000
Ni3 Ni 0.94326 0.94326 0.45202 1.00000
Ni4 Ni 0.94326 0.45202 0.94326 1.00000
Ni5 Ni 0.45202 0.94326 0.94326 1.00000
Ni6 Ni 0.05674 0.05674 0.54798 1.00000
Ni7 Ni 0.05674 0.54798 0.05674 1.00000
Ni8 Ni 0.54798 0.05674 0.05674 1.00000
Ni9 Ni 0.27665 0.27665 0.27665 1.00000
Ni10 Ni 0.72335 0.72335 0.72335 1.00000
Ni11 Ni 0.50000 0.00000 0.50000 1.00000
Ni12 Ni 0.00000 0.50000 0.50000 1.00000
Ni13 Ni 0.50000 0.50000 0.00000 1.00000
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