Zn3Cr4
Alexandria ALEXAlex-ID: agm005488247 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_16_spg71
Cr Zn
2023-03-17 23:35:59.251209
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005488247).
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 agm005488247
data_agm005488247
_cell_length_a 10.35564
_cell_length_b 10.35564
_cell_length_c 10.35564
_cell_angle_alpha 163.19201
_cell_angle_beta 163.19201
_cell_angle_gamma 23.85691
_cell_volume 92.83662
_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
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.71307 0.71307 0.00000 1.00000
Zn3 Zn 0.28693 0.28693 0.00000 1.00000
Cr1 Cr 0.86697 0.86697 0.00000 1.00000
Cr2 Cr 0.57899 0.57899 0.00000 1.00000
Cr3 Cr 0.42101 0.42101 0.00000 1.00000
Cr4 Cr 0.13303 0.13303 0.00000 1.00000
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