YGe3Rh2
Alexandria ALEXAlex-ID: agm005874872 · 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
AB2C3_846_spg12
Y2Ge5Rh3 Y(GeRh)2 YGe7Rh3
2023-08-18 07:33:16.782891
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874872).
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 agm005874872
data_agm005874872
_cell_length_a 4.17751
_cell_length_b 7.31080
_cell_length_c 8.50050
_cell_angle_alpha 120.16855
_cell_angle_beta 104.22440
_cell_angle_gamma 90.00003
_cell_volume 215.19262
_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 0.12779 0.10464 0.25559 1.00000
Y2 Y 0.87221 0.89536 0.74441 1.00000
Ge1 Ge 0.68002 0.46391 0.36004 1.00000
Ge2 Ge 0.03698 0.39438 0.07396 1.00000
Ge3 Ge 0.33282 0.13948 0.66564 1.00000
Ge4 Ge 0.66718 0.86052 0.33436 1.00000
Ge5 Ge 0.96302 0.60562 0.92604 1.00000
Ge6 Ge 0.31998 0.53609 0.63996 1.00000
Rh1 Rh 0.50421 0.19357 0.00843 1.00000
Rh2 Rh 0.49579 0.80643 0.99157 1.00000
Rh3 Rh 0.20900 0.70385 0.41800 1.00000
Rh4 Rh 0.79100 0.29615 0.58200 1.00000
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