Nd6InFe2
Alexandria ALEXAlex-ID: agm005706283 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1783_spg71
Nd3In Nd Fe
2023-07-07 01:50:24.961897
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706283).
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 agm005706283
data_agm005706283
_cell_length_a 8.67728
_cell_length_b 8.67728
_cell_length_c 8.67729
_cell_angle_alpha 106.87332
_cell_angle_beta 112.26985
_cell_angle_gamma 109.31573
_cell_volume 501.83440
_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 0.53299 0.81539 0.71760 1.00000
Nd2 Nd 0.46701 0.18461 0.28240 1.00000
Nd3 Nd 0.09779 0.81539 0.28240 1.00000
Nd4 Nd 0.90222 0.18461 0.71760 1.00000
Nd5 Nd 0.79418 0.02971 0.23554 1.00000
Nd6 Nd 0.20582 0.97029 0.76446 1.00000
Nd7 Nd 0.20582 0.44136 0.23554 1.00000
Nd8 Nd 0.79418 0.55864 0.76446 1.00000
Nd9 Nd 0.68794 0.32744 0.01538 1.00000
Nd10 Nd 0.31206 0.67256 0.98462 1.00000
Nd11 Nd 0.31206 0.32744 0.63950 1.00000
Nd12 Nd 0.68794 0.67256 0.36050 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.50000 0.10689 0.60689 1.00000
Fe2 Fe 0.50000 0.89311 0.39311 1.00000
Fe3 Fe 0.67249 0.67249 0.00000 1.00000
Fe4 Fe 0.32751 0.32751 1.00000 1.00000
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