Na(In2Ni)2
Alexandria ALEXAlex-ID: agm012837451 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_5270_spg12
NaIn2 InNi
2024-07-03 09:37:43.292929
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012837451).
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 agm012837451
data_agm012837451
_cell_length_a 12.30483
_cell_length_b 12.30483
_cell_length_c 12.30483
_cell_angle_alpha 165.74669
_cell_angle_beta 160.12784
_cell_angle_gamma 24.54020
_cell_volume 155.88595
_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
Na1 Na 0.00000 0.50000 0.50000 1.00000
In1 In 0.80087 0.80087 0.00000 1.00000
In2 In 0.19913 0.19913 0.00000 1.00000
In3 In 0.40772 0.90772 0.50000 1.00000
In4 In 0.59228 0.09228 0.50000 1.00000
Ni1 Ni 0.68488 0.68488 0.00000 1.00000
Ni2 Ni 0.31512 0.31512 0.00000 1.00000
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