NdMgAl3
Alexandria ALEXAlex-ID: agm003729338 · 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
ABC3_312_spg63
NdAl3 Mg
2022-04-16 03:49:49.831406
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003729338).
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 agm003729338
data_agm003729338
_cell_length_a 4.47095
_cell_length_b 3.90261
_cell_length_c 13.05845
_cell_angle_alpha 98.59382
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 225.29072
_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
Nd1 Nd 0.25000 0.07755 0.15510 1.00000
Nd2 Nd 0.75000 0.92245 0.84490 1.00000
Mg1 Mg 0.25000 0.78997 0.57995 1.00000
Mg2 Mg 0.75000 0.21003 0.42005 1.00000
Al1 Al 0.25000 0.37411 0.74822 1.00000
Al2 Al 0.75000 0.62589 0.25178 1.00000
Al3 Al 0.25000 0.47491 0.94983 1.00000
Al4 Al 0.75000 0.52509 0.05017 1.00000
Al5 Al 0.75000 0.31914 0.63827 1.00000
Al6 Al 0.25000 0.68086 0.36173 1.00000
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