Nd3(AlCo)4
Alexandria ALEXAlex-ID: agm002328811 · 空间群: I-43m (#217)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_2_spg217
AlCo Nd
2019-02-22 14:31:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002328811).
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 agm002328811
data_agm002328811
_cell_length_a 6.42734
_cell_length_b 6.42734
_cell_length_c 6.42734
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 204.39613
_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
Co1 Co 1.00000 1.00000 0.23675 1.00000
Co2 Co 0.76325 0.76325 0.76325 1.00000
Co3 Co 0.00000 0.23675 0.00000 1.00000
Co4 Co 0.23675 0.00000 0.00000 1.00000
Nd1 Nd 0.00000 0.50000 0.50000 1.00000
Nd2 Nd 0.50000 0.00000 0.50000 1.00000
Nd3 Nd 0.50000 0.50000 0.00000 1.00000
Al1 Al 1.00000 0.60425 1.00000 1.00000
Al2 Al 0.39575 0.39575 0.39575 1.00000
Al3 Al 0.60425 0.00000 0.00000 1.00000
Al4 Al 0.00000 0.00000 0.60425 1.00000
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