Nd2Er2Mg5
Alexandria ALEXAlex-ID: agm008736038 · 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
A2B2C5_610_spg69
Er2Mg Nd2ErMg3 NdMg3
2024-05-14 14:53:54.268384
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008736038).
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 agm008736038
data_agm008736038
_cell_length_a 6.36471
_cell_length_b 6.36471
_cell_length_c 10.08206
_cell_angle_alpha 57.02166
_cell_angle_beta 57.02166
_cell_angle_gamma 49.57145
_cell_volume 248.82091
_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 0.63547 0.63547 0.62557 1.00000
Nd2 Nd 0.36453 0.36453 0.37443 1.00000
Er1 Er 0.32141 0.32141 0.05849 1.00000
Er2 Er 0.67859 0.67859 0.94151 1.00000
Mg1 Mg 0.00300 0.00300 0.84760 1.00000
Mg2 Mg 0.68613 0.68613 0.27661 1.00000
Mg3 Mg 0.31387 0.31387 0.72339 1.00000
Mg4 Mg 0.99700 0.99700 0.15240 1.00000
Mg5 Mg 0.00000 0.00000 0.50000 1.00000
