Ca2InNi
Alexandria ALEXAlex-ID: agm005489250 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_63_spg63
CaIn Ca8In3 CaNi2
2023-03-20 09:23:32.617029
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005489250).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005489250
data_agm005489250
_cell_length_a 6.33182
_cell_length_b 6.33182
_cell_length_c 8.93839
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 145.82348
_cell_volume 201.30546
_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
Ca1 Ca 0.86524 0.13476 0.43559 1.00000
Ca2 Ca 0.13476 0.86524 0.93559 1.00000
Ca3 Ca 0.86524 0.13476 0.06441 1.00000
Ca4 Ca 0.13476 0.86524 0.56441 1.00000
In1 In 0.57162 0.42838 0.25000 1.00000
In2 In 0.42838 0.57162 0.75000 1.00000
Ni1 Ni 0.22412 0.77588 0.25000 1.00000
Ni2 Ni 0.77588 0.22412 0.75000 1.00000
获取直接链接