Pm3(InNi)2
Alexandria ALEXAlex-ID: agm009428186 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_504_spg139
Pm11In9Ni4 Pm2InNi2
2024-04-07 16:28:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009428186).
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 agm009428186
data_agm009428186
_cell_length_a 11.37544
_cell_length_b 11.37544
_cell_length_c 3.76430
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 159.89002
_cell_volume 167.47731
_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
Pm1 Pm 0.67556 0.32444 0.00000 1.00000
Pm2 Pm 0.50000 0.50000 0.00000 1.00000
Pm3 Pm 0.32444 0.67556 0.00000 1.00000
In1 In 0.91224 0.08776 0.50000 1.00000
In2 In 0.08776 0.91224 0.50000 1.00000
Ni1 Ni 0.78168 0.21832 0.50000 1.00000
Ni2 Ni 0.21832 0.78168 0.50000 1.00000
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