Nd4NbFe19P12
Alexandria ALEXAlex-ID: agm021123726 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C12D19_0_spg6
Fe3P NbFeP Nd(FeP)2 Fe
2024-10-02 01:07:28.040851
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021123726).
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 agm021123726
data_agm021123726
_cell_length_a 3.70720
_cell_length_b 10.42814
_cell_length_c 12.19242
_cell_angle_alpha 89.60737
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 471.33852
_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 0.50000 0.58106 0.29173 1.00000
Nd2 Nd 0.50000 0.92110 0.79268 1.00000
Nd3 Nd 0.00000 0.41823 0.70567 1.00000
Nd4 Nd 0.00000 0.08449 0.21280 1.00000
Nb1 Nb 0.50000 0.70315 0.00746 1.00000
Fe1 Fe 0.50000 0.22236 0.83000 1.00000
Fe2 Fe 0.50000 0.27553 0.32906 1.00000
Fe3 Fe 0.00000 0.78322 0.17372 1.00000
Fe4 Fe 0.00000 0.72303 0.66687 1.00000
Fe5 Fe 0.50000 0.87645 0.30719 1.00000
Fe6 Fe 0.50000 0.61990 0.79737 1.00000
Fe7 Fe 0.00000 0.12355 0.69629 1.00000
Fe8 Fe 0.00000 0.37640 0.19601 1.00000
Fe9 Fe 0.50000 0.41062 0.50672 1.00000
Fe10 Fe 0.50000 0.09154 0.01022 1.00000
Fe11 Fe 0.00000 0.58526 0.48965 1.00000
Fe12 Fe 0.00000 0.92413 0.99652 1.00000
Fe13 Fe 0.50000 0.45912 0.06294 1.00000
Fe14 Fe 0.50000 0.03576 0.56703 1.00000
Fe15 Fe 0.00000 0.53007 0.93354 1.00000
Fe16 Fe 0.00000 0.96336 0.43629 1.00000
Fe17 Fe 0.50000 0.79251 0.50771 1.00000
Fe18 Fe 0.00000 0.29606 0.98952 1.00000
Fe19 Fe 0.00000 0.20583 0.49153 1.00000
P1 P 0.50000 0.42300 0.88800 1.00000
P2 P 0.50000 0.07428 0.39357 1.00000
P3 P 0.00000 0.57100 0.11119 1.00000
P4 P 0.00000 0.92597 0.61013 1.00000
P5 P 0.50000 0.27292 0.14000 1.00000
P6 P 0.50000 0.22502 0.63814 1.00000
P7 P 0.00000 0.71883 0.85108 1.00000
P8 P 0.00000 0.77282 0.36670 1.00000
P9 P 0.50000 0.60981 0.61011 1.00000
P10 P 0.50000 0.90103 0.12303 1.00000
P11 P 0.00000 0.38652 0.38452 1.00000
P12 P 0.00000 0.11608 0.88501 1.00000
