Sr2Nd(MgBi2)2
Alexandria ALEXAlex-ID: agm011540167 · 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
AB2C2D4_161_spg12
Sr21(Mg2Bi9)2 Sr2Bi3 Sr(MgBi)2 NdBi
2024-04-07 14:55:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011540167).
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 agm011540167
data_agm011540167
_cell_length_a 8.79657
_cell_length_b 8.79657
_cell_length_c 7.93818
_cell_angle_alpha 70.41922
_cell_angle_beta 70.41922
_cell_angle_gamma 31.48572
_cell_volume 300.74013
_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
Sr1 Sr 0.13341 0.13341 0.91979 1.00000
Sr2 Sr 0.86659 0.86659 0.08021 1.00000
Nd1 Nd 0.00000 0.00000 0.50000 1.00000
Mg1 Mg 0.67326 0.67326 0.50972 1.00000
Mg2 Mg 0.32674 0.32674 0.49028 1.00000
Bi1 Bi 0.20919 0.20919 0.27565 1.00000
Bi2 Bi 0.79081 0.79081 0.72435 1.00000
Bi3 Bi 0.50022 0.50022 0.78074 1.00000
Bi4 Bi 0.49978 0.49978 0.21926 1.00000
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