Ce2Ho3Ru4
Alexandria ALEXAlex-ID: agm003340686 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_618_spg15
Ce(HoRu)2 CeHo2Ru3 CeRu
2022-01-30 02:48:15.607895
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003340686).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003340686
data_agm003340686
_cell_length_a 5.88880
_cell_length_b 8.70598
_cell_length_c 8.70597
_cell_angle_alpha 70.11501
_cell_angle_beta 79.79759
_cell_angle_gamma 79.79760
_cell_volume 409.78010
_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
Ce1 Ce 0.46317 0.21030 0.41391 1.00000
Ce2 Ce 0.03683 0.58609 0.78971 1.00000
Ce3 Ce 0.53683 0.78970 0.58609 1.00000
Ce4 Ce 0.96317 0.41391 0.21029 1.00000
Ho1 Ho 0.90165 0.98743 0.20347 1.00000
Ho2 Ho 0.59835 0.79653 0.01257 1.00000
Ho3 Ho 0.09835 0.01257 0.79653 1.00000
Ho4 Ho 0.40165 0.20347 0.98743 1.00000
Ho5 Ho 0.25000 0.63004 0.36996 1.00000
Ho6 Ho 0.75000 0.36996 0.63004 1.00000
Ru1 Ru 0.38519 0.94056 0.30826 1.00000
Ru2 Ru 0.11481 0.69174 0.05944 1.00000
Ru3 Ru 0.61481 0.05944 0.69174 1.00000
Ru4 Ru 0.88519 0.30826 0.94056 1.00000
Ru5 Ru 0.99083 0.16129 0.43548 1.00000
Ru6 Ru 0.50917 0.56452 0.83871 1.00000
Ru7 Ru 0.00917 0.83871 0.56452 1.00000
Ru8 Ru 0.49083 0.43548 0.16129 1.00000
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