Y2TmRh3
Alexandria ALEXAlex-ID: agm017690476 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_936_spg15
Y2TmRh3
2025-01-16 23:36:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017690476).
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 agm017690476
data_agm017690476
_cell_length_a 8.36537
_cell_length_b 8.36537
_cell_length_c 8.36537
_cell_angle_alpha 146.44160
_cell_angle_beta 131.65254
_cell_angle_gamma 60.13656
_cell_volume 239.56839
_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
Y1 Y 0.41672 0.16672 0.25000 1.00000
Y2 Y 0.75028 0.50028 0.25000 1.00000
Y3 Y 0.58328 0.83328 0.75000 1.00000
Y4 Y 0.24972 0.49972 0.75000 1.00000
Tm1 Tm 0.08293 0.83293 0.25000 1.00000
Tm2 Tm 0.91707 0.16707 0.75000 1.00000
Rh1 Rh 0.16244 0.66797 0.49447 1.00000
Rh2 Rh 0.32651 0.33203 0.99447 1.00000
Rh3 Rh 0.50000 0.00000 0.50000 1.00000
Rh4 Rh 0.83756 0.33203 0.50553 1.00000
Rh5 Rh 0.00000 0.00000 0.00000 1.00000
Rh6 Rh 0.67349 0.66797 0.00553 1.00000
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