Nd3Fe3Sb7
Alexandria ALEXAlex-ID: agm005267526 · 空间群: P6_3/m (#176)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C7_8_spg176
Nd(FeSb3)4 Fe NdSb
2023-05-10 12:31:54.909209
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267526).
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 agm005267526
data_agm005267526
_cell_length_a 13.29686
_cell_length_b 13.29686
_cell_length_c 4.20464
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 643.81054
_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 0.53912 0.72206 0.75000 1.00000
Nd2 Nd 0.46088 0.27794 0.25000 1.00000
Nd3 Nd 0.18294 0.46088 0.75000 1.00000
Nd4 Nd 0.81706 0.53912 0.25000 1.00000
Nd5 Nd 0.27794 0.81706 0.75000 1.00000
Nd6 Nd 0.72206 0.18294 0.25000 1.00000
Fe1 Fe 0.87455 0.94904 0.75000 1.00000
Fe2 Fe 0.12545 0.05096 0.25000 1.00000
Fe3 Fe 0.07449 0.12545 0.75000 1.00000
Fe4 Fe 0.92551 0.87455 0.25000 1.00000
Fe5 Fe 0.05096 0.92551 0.75000 1.00000
Fe6 Fe 0.94904 0.07449 0.25000 1.00000
Sb1 Sb 0.66667 0.33333 0.75000 1.00000
Sb2 Sb 0.33333 0.66667 0.25000 1.00000
Sb3 Sb 0.56589 0.97673 0.75000 1.00000
Sb4 Sb 0.43411 0.02327 0.25000 1.00000
Sb5 Sb 0.41083 0.43411 0.75000 1.00000
Sb6 Sb 0.58917 0.56589 0.25000 1.00000
Sb7 Sb 0.02327 0.58917 0.75000 1.00000
Sb8 Sb 0.97673 0.41083 0.25000 1.00000
Sb9 Sb 0.81237 0.72877 0.75000 1.00000
Sb10 Sb 0.18763 0.27123 0.25000 1.00000
Sb11 Sb 0.91640 0.18763 0.75000 1.00000
Sb12 Sb 0.08360 0.81237 0.25000 1.00000
Sb13 Sb 0.27123 0.08360 0.75000 1.00000
Sb14 Sb 0.72877 0.91640 0.25000 1.00000
