Nd5ThGa5
Alexandria ALEXAlex-ID: agm003673741 · 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
AB5C5_41_spg12
Th NdGa
2022-04-09 12:14:58.250456
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673741).
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 agm003673741
data_agm003673741
_cell_length_a 5.87098
_cell_length_b 8.31590
_cell_length_c 6.95692
_cell_angle_alpha 98.96003
_cell_angle_beta 90.00000
_cell_angle_gamma 110.67075
_cell_volume 313.35445
_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 0.64127 0.28253 0.39409 1.00000
Nd2 Nd 0.68292 0.36583 0.90085 1.00000
Nd3 Nd 0.00000 0.00000 0.50000 1.00000
Nd4 Nd 0.31708 0.63417 0.09915 1.00000
Nd5 Nd 0.35873 0.71747 0.60591 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.82245 0.64490 0.27695 1.00000
Ga2 Ga 0.83231 0.66462 0.67954 1.00000
Ga3 Ga 0.50000 0.00000 0.00000 1.00000
Ga4 Ga 0.16769 0.33538 0.32046 1.00000
Ga5 Ga 0.17755 0.35510 0.72305 1.00000
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