PmDy(H4Rh)2
Alexandria ALEXAlex-ID: agm007409678 · 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
ABC2D8_184_spg1
DyH3Rh PmH5Rh
2024-03-26 10:10:54.529286
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007409678).
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 agm007409678
data_agm007409678
_cell_length_a 4.42465
_cell_length_b 5.37525
_cell_length_c 6.05396
_cell_angle_alpha 72.56426
_cell_angle_beta 68.56147
_cell_angle_gamma 65.70941
_cell_volume 120.25188
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.50000 0.50000 0.50000 1.00000
H1 H 0.05318 0.29922 0.59454 1.00000
H2 H 0.48868 0.33304 0.19603 1.00000
H3 H 0.94682 0.70078 0.40546 1.00000
H4 H 0.98228 0.33274 0.19600 1.00000
H5 H 0.01772 0.66726 0.80400 1.00000
H6 H 0.46750 0.87940 0.18554 1.00000
H7 H 0.53250 0.12060 0.81446 1.00000
H8 H 0.51132 0.66696 0.80397 1.00000
Rh1 Rh 0.25217 0.12712 0.36861 1.00000
Rh2 Rh 0.74783 0.87288 0.63139 1.00000
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