Ho3ErRh3
Alexandria ALEXAlex-ID: agm003545804 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_294_spg65
HoEr2Rh3 Ho5Rh3
2022-04-04 05:55:38.505204
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545804).
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 agm003545804
data_agm003545804
_cell_length_a 6.88567
_cell_length_b 6.88562
_cell_length_c 6.66217
_cell_angle_alpha 89.98604
_cell_angle_beta 89.98594
_cell_angle_gamma 89.66612
_cell_volume 315.86235
_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 0.75401 0.75401 0.50021 1.00000
Ho2 Ho 0.24527 0.75472 0.50000 1.00000
Ho3 Ho 0.75473 0.24528 0.50000 1.00000
Ho4 Ho 0.24874 0.75125 1.00000 1.00000
Ho5 Ho 0.75126 0.24875 0.00000 1.00000
Ho6 Ho 0.24599 0.24599 0.49979 1.00000
Er1 Er 0.75790 0.75788 0.00020 1.00000
Er2 Er 0.24210 0.24212 0.99980 1.00000
Rh1 Rh 0.00001 0.00002 0.24976 1.00000
Rh2 Rh 0.00000 0.50000 0.75078 1.00000
Rh3 Rh 0.50000 0.00000 0.75078 1.00000
Rh4 Rh 1.00000 0.50000 0.24922 1.00000
Rh5 Rh 0.50000 1.00000 0.24922 1.00000
Rh6 Rh 0.99999 0.99998 0.75024 1.00000
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