Nd2FeGe5Os2
Alexandria ALEXAlex-ID: agm039423596 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_56_spg15
Nd3Ge5 Nd2Ge5Os3 NdFeGe3 Nd(Fe2Ge)2
2024-09-13 14:20:10.389829
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039423596).
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}
}
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# CIF generated by HEAS from Alexandria entry agm039423596
data_agm039423596
_cell_length_a 8.38606
_cell_length_b 8.38606
_cell_length_c 5.96369
_cell_angle_alpha 70.71833
_cell_angle_beta 70.71833
_cell_angle_gamma 94.53926
_cell_volume 365.24062
_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 0.13091 0.40323 0.23953 1.00000
Nd2 Nd 0.59677 0.86909 0.26047 1.00000
Nd3 Nd 0.86909 0.59677 0.76047 1.00000
Nd4 Nd 0.40323 0.13091 0.73953 1.00000
Fe1 Fe 0.99526 0.00474 0.25000 1.00000
Fe2 Fe 0.00474 0.99526 0.75000 1.00000
Ge1 Ge 0.92521 0.74964 0.17081 1.00000
Ge2 Ge 0.25036 0.07479 0.32919 1.00000
Ge3 Ge 0.07479 0.25036 0.82919 1.00000
Ge4 Ge 0.74964 0.92521 0.67081 1.00000
Ge5 Ge 0.48824 0.51176 0.25000 1.00000
Ge6 Ge 0.51176 0.48824 0.75000 1.00000
Ge7 Ge 0.79752 0.20248 0.25000 1.00000
Ge8 Ge 0.20248 0.79752 0.75000 1.00000
Ge9 Ge 0.22597 0.77403 0.25000 1.00000
Ge10 Ge 0.77403 0.22597 0.75000 1.00000
Os1 Os 0.74545 0.45511 0.36706 1.00000
Os2 Os 0.54489 0.25455 0.13294 1.00000
Os3 Os 0.25455 0.54489 0.63294 1.00000
Os4 Os 0.45511 0.74545 0.86706 1.00000
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