SrNi3Ag4
Alexandria ALEXAlex-ID: agm012525231 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_2066_spg2
SrAg5 SrAg2 Ni
2024-06-24 11:40:21.097015
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012525231).
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 agm012525231
data_agm012525231
_cell_length_a 6.74010
_cell_length_b 6.96218
_cell_length_c 7.73369
_cell_angle_alpha 111.21099
_cell_angle_beta 118.25658
_cell_angle_gamma 88.60012
_cell_volume 293.20367
_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 0.73569 0.46026 0.22839 1.00000
Sr2 Sr 0.26431 0.53974 0.77161 1.00000
Ni1 Ni 0.44819 0.19180 0.25845 1.00000
Ni2 Ni 0.55181 0.80820 0.74155 1.00000
Ni3 Ni 0.67466 0.47694 0.61881 1.00000
Ni4 Ni 0.32534 0.52306 0.38119 1.00000
Ni5 Ni 0.34831 0.05626 0.88680 1.00000
Ni6 Ni 0.65169 0.94374 0.11320 1.00000
Ag1 Ag 0.14133 0.85536 0.47626 1.00000
Ag2 Ag 0.85867 0.14464 0.52374 1.00000
Ag3 Ag 0.43347 0.82821 0.29528 1.00000
Ag4 Ag 0.92823 0.69702 0.02337 1.00000
Ag5 Ag 0.56653 0.17179 0.70472 1.00000
Ag6 Ag 0.07177 0.30298 0.97663 1.00000
Ag7 Ag 0.08469 0.14086 0.27856 1.00000
Ag8 Ag 0.91531 0.85914 0.72144 1.00000
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