La2Nd2YRh2
Alexandria ALEXAlex-ID: agm011661787 · 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
AB2C2D2_148_spg12
Nd3Rh Y5Rh3 La7Rh3 Nd
2025-02-22 13:33:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011661787).
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
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# CIF generated by HEAS from Alexandria entry agm011661787
data_agm011661787
_cell_length_a 6.48748
_cell_length_b 6.48748
_cell_length_c 9.28269
_cell_angle_alpha 66.90546
_cell_angle_beta 113.09454
_cell_angle_gamma 145.28329
_cell_volume 202.84420
_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
La1 La 0.66990 0.33010 0.30954 1.00000
La2 La 0.33010 0.66990 0.69046 1.00000
Nd1 Nd 0.88585 0.11415 0.08038 1.00000
Nd2 Nd 0.11415 0.88585 0.91962 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.32426 0.67574 0.26430 1.00000
Rh2 Rh 0.67574 0.32426 0.73570 1.00000
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