Er2SbHRh6
Alexandria ALEXAlex-ID: agm004930786 · 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
ABC2D6_455_spg166
Er2SbRh5 ErH3Rh Sb2HRh6 Rh
2022-07-23 21:47:44.977806
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004930786).
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 agm004930786
data_agm004930786
_cell_length_a 5.74304
_cell_length_b 6.87214
_cell_length_c 5.50433
_cell_angle_alpha 67.13256
_cell_angle_beta 58.54775
_cell_angle_gamma 89.97779
_cell_volume 164.99960
_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
Er1 Er 0.74488 0.18501 0.51056 1.00000
Er2 Er 0.25512 0.81499 0.48944 1.00000
Sb1 Sb 1.00000 1.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.29537 0.27040 0.40991 1.00000
Rh2 Rh 0.68604 0.64324 0.13940 1.00000
Rh3 Rh 0.17384 0.64271 0.14002 1.00000
Rh4 Rh 0.82616 0.35729 0.85998 1.00000
Rh5 Rh 0.31396 0.35676 0.86061 1.00000
Rh6 Rh 0.70463 0.72960 0.59009 1.00000
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