Nd2In2Rh3
Alexandria ALEXAlex-ID: agm009472012 · 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
A2B2C3_1719_spg2
NdIn3Rh4 NdInRh NdRh2
2024-03-07 15:11:29.526836
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009472012).
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 agm009472012
data_agm009472012
_cell_length_a 5.50347
_cell_length_b 5.50347
_cell_length_c 7.13478
_cell_angle_alpha 75.23196
_cell_angle_beta 75.23196
_cell_angle_gamma 47.12210
_cell_volume 152.11218
_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 0.37351 0.37351 0.31584 1.00000
Nd2 Nd 0.62649 0.62649 0.68416 1.00000
In1 In 0.12465 0.12465 0.07987 1.00000
In2 In 0.87535 0.87535 0.92013 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
Rh2 Rh 0.32816 0.32816 0.72688 1.00000
Rh3 Rh 0.67184 0.67184 0.27312 1.00000
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