Cr3Cd(InN3)2
Alexandria ALEXAlex-ID: agm044458097 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_1_spg12
Cd4In3 CdIn6 CrN2
2024-08-08 01:54:25.595019
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044458097).
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
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# CIF generated by HEAS from Alexandria entry agm044458097
data_agm044458097
_cell_length_a 5.43096
_cell_length_b 5.43096
_cell_length_c 5.51787
_cell_angle_alpha 80.56380
_cell_angle_beta 80.56380
_cell_angle_gamma 119.94386
_cell_volume 133.24326
_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
Cr1 Cr 0.83544 0.16456 0.00000 1.00000
Cr2 Cr 0.16456 0.83544 0.00000 1.00000
Cr3 Cr 0.50000 0.50000 0.00000 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
In1 In 0.66709 0.33291 0.50000 1.00000
In2 In 0.33291 0.66709 0.50000 1.00000
N1 N 0.55813 0.90264 0.79001 1.00000
N2 N 0.75219 0.75219 0.21024 1.00000
N3 N 0.44187 0.09736 0.20999 1.00000
N4 N 0.90264 0.55813 0.79001 1.00000
N5 N 0.24781 0.24781 0.78976 1.00000
N6 N 0.09736 0.44187 0.20999 1.00000
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