HoH7Rh4
Alexandria ALEXAlex-ID: agm006707202 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_266_spg2
Ho(H2Rh)3 H8Rh3 Rh
2024-02-24 20:43:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006707202).
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 agm006707202
data_agm006707202
_cell_length_a 3.99949
_cell_length_b 4.88470
_cell_length_c 6.43914
_cell_angle_alpha 79.49548
_cell_angle_beta 65.79101
_cell_angle_gamma 66.96463
_cell_volume 105.54973
_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
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
H1 H 0.35908 0.05145 0.18582 1.00000
H2 H 0.87383 0.80505 0.40564 1.00000
H3 H 0.27148 0.54255 0.72816 1.00000
H4 H 0.64092 0.94855 0.81418 1.00000
H5 H 0.12617 0.19495 0.59436 1.00000
H6 H 0.72852 0.45745 0.27184 1.00000
H7 H 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.19892 0.41749 0.26985 1.00000
Rh2 Rh 0.80108 0.58251 0.73015 1.00000
Rh3 Rh 0.39548 0.80769 0.41760 1.00000
Rh4 Rh 0.60452 0.19231 0.58240 1.00000
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