Y2MnHRh
Alexandria ALEXAlex-ID: agm007634089 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_69_spg11
Y5Rh3 YRh YH2 Mn
2024-05-29 09:50:51.402421
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007634089).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm007634089
data_agm007634089
_cell_length_a 3.82523
_cell_length_b 5.86874
_cell_length_c 8.69518
_cell_angle_alpha 71.47387
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 185.08515
_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 0.75000 0.27507 0.43741 1.00000
Y2 Y 0.75000 0.78807 0.91895 1.00000
Y3 Y 0.25000 0.72493 0.56259 1.00000
Y4 Y 0.25000 0.21193 0.08105 1.00000
Mn1 Mn 0.25000 0.65556 0.21651 1.00000
Mn2 Mn 0.75000 0.34444 0.78349 1.00000
H1 H 0.25000 0.61167 0.02757 1.00000
H2 H 0.75000 0.38833 0.97243 1.00000
Rh1 Rh 0.25000 0.14179 0.69777 1.00000
Rh2 Rh 0.75000 0.85821 0.30223 1.00000
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