Nd(Ga4Fe)2
Alexandria ALEXAlex-ID: agm005284748 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_191_spg55
Ga3Fe NdGa2
2024-10-04 10:54:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284748).
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 agm005284748
data_agm005284748
_cell_length_a 4.01503
_cell_length_b 12.49127
_cell_length_c 14.46453
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 725.43659
_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 0.00000 0.84332 0.18108 1.00000
Nd2 Nd 0.00000 0.15668 0.81892 1.00000
Nd3 Nd 0.00000 0.65668 0.68108 1.00000
Nd4 Nd 0.00000 0.34332 0.31892 1.00000
Ga1 Ga 0.00000 0.50000 0.50000 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
Ga3 Ga 0.50000 0.00000 0.50000 1.00000
Ga4 Ga 0.50000 0.50000 0.00000 1.00000
Ga5 Ga 0.50000 0.73905 0.32660 1.00000
Ga6 Ga 0.50000 0.26095 0.67340 1.00000
Ga7 Ga 0.50000 0.76095 0.82660 1.00000
Ga8 Ga 0.50000 0.23905 0.17340 1.00000
Ga9 Ga 0.50000 0.95098 0.31882 1.00000
Ga10 Ga 0.50000 0.04902 0.68118 1.00000
Ga11 Ga 0.50000 0.54902 0.81882 1.00000
Ga12 Ga 0.50000 0.45098 0.18118 1.00000
Ga13 Ga 0.50000 0.66312 0.12116 1.00000
Ga14 Ga 0.50000 0.33688 0.87884 1.00000
Ga15 Ga 0.50000 0.83688 0.62116 1.00000
Ga16 Ga 0.50000 0.16312 0.37884 1.00000
Ga17 Ga 0.00000 0.83841 0.45472 1.00000
Ga18 Ga 0.00000 0.16159 0.54528 1.00000
Ga19 Ga 0.00000 0.66159 0.95472 1.00000
Ga20 Ga 0.00000 0.33841 0.04528 1.00000
Ga21 Ga 0.00000 0.59784 0.24628 1.00000
Ga22 Ga 0.00000 0.40216 0.75372 1.00000
Ga23 Ga 0.00000 0.90216 0.74628 1.00000
Ga24 Ga 0.00000 0.09784 0.25372 1.00000
Ga25 Ga 0.50000 0.83079 0.00978 1.00000
Ga26 Ga 0.50000 0.16921 0.99022 1.00000
Ga27 Ga 0.50000 0.66921 0.50978 1.00000
Ga28 Ga 0.50000 0.33079 0.49022 1.00000
Ga29 Ga 0.50000 0.52452 0.36741 1.00000
Ga30 Ga 0.50000 0.47548 0.63259 1.00000
Ga31 Ga 0.50000 0.97548 0.86741 1.00000
Ga32 Ga 0.50000 0.02452 0.13259 1.00000
Fe1 Fe 0.00000 0.65193 0.40305 1.00000
Fe2 Fe 0.00000 0.34807 0.59695 1.00000
Fe3 Fe 0.00000 0.84807 0.90305 1.00000
Fe4 Fe 0.00000 0.15193 0.09695 1.00000
Fe5 Fe 0.00000 0.53474 0.09327 1.00000
Fe6 Fe 0.00000 0.46526 0.90673 1.00000
Fe7 Fe 0.00000 0.96526 0.59327 1.00000
Fe8 Fe 0.00000 0.03474 0.40673 1.00000
