Nd2GaSn2Rh5
Alexandria ALEXAlex-ID: agm005137343 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_49_spg127
NdGa2Rh3 NdSn2Rh3 NdSnRh NdRh2
2022-07-14 20:29:15.057541
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005137343).
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 agm005137343
data_agm005137343
_cell_length_a 3.27735
_cell_length_b 10.80220
_cell_length_c 10.80220
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 382.42603
_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 0.66676 0.16676 1.00000
Nd2 Nd 0.00000 0.33324 0.83324 1.00000
Nd3 Nd 0.00000 0.16676 0.33324 1.00000
Nd4 Nd 0.00000 0.83324 0.66676 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ga2 Ga 0.00000 0.50000 0.50000 1.00000
Sn1 Sn 0.00000 0.13692 0.63692 1.00000
Sn2 Sn 0.00000 0.86308 0.36308 1.00000
Sn3 Sn 0.00000 0.63692 0.86308 1.00000
Sn4 Sn 0.00000 0.36308 0.13692 1.00000
Rh1 Rh 0.50000 0.19114 0.03926 1.00000
Rh2 Rh 0.50000 0.80886 0.96074 1.00000
Rh3 Rh 0.50000 0.03926 0.80886 1.00000
Rh4 Rh 0.50000 0.69114 0.46074 1.00000
Rh5 Rh 0.50000 0.96074 0.19114 1.00000
Rh6 Rh 0.50000 0.30886 0.53926 1.00000
Rh7 Rh 0.50000 0.53926 0.69114 1.00000
Rh8 Rh 0.50000 0.46074 0.30886 1.00000
Rh9 Rh 0.50000 0.50000 0.00000 1.00000
Rh10 Rh 0.50000 0.00000 0.50000 1.00000
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