PrFeN3
Alexandria ALEXAlex-ID: agm002223402 · 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
ABC3_102_spg12
PrN4 Pr2FeN3 FeN
2018-07-12 08:00:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002223402).
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 agm002223402
data_agm002223402
_cell_length_a 3.99380
_cell_length_b 5.68523
_cell_length_c 7.47647
_cell_angle_alpha 102.95225
_cell_angle_beta 90.03114
_cell_angle_gamma 110.50644
_cell_volume 154.37310
_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
Pr1 Pr 0.83365 0.66732 0.21120 1.00000
Pr2 Pr 0.16635 0.33268 0.78880 1.00000
Fe1 Fe 0.54057 0.08232 0.15594 1.00000
Fe2 Fe 0.45943 0.91768 0.84406 1.00000
N1 N 0.37127 0.74324 0.02500 1.00000
N2 N 0.62873 0.25676 0.97500 1.00000
N3 N 0.60688 0.21466 0.38670 1.00000
N4 N 0.35119 0.70253 0.44969 1.00000
N5 N 0.39312 0.78534 0.61330 1.00000
N6 N 0.64881 0.29747 0.55031 1.00000
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