Tb2Ho3ThRu6
Alexandria ALEXAlex-ID: agm047192532 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_530_spg12
Tb4Ru3 Ho3ThRu4 TbRu2
2025-02-28 16:10:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047192532).
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 agm047192532
data_agm047192532
_cell_length_a 8.35635
_cell_length_b 8.35635
_cell_length_c 8.35635
_cell_angle_alpha 146.28265
_cell_angle_beta 131.64233
_cell_angle_gamma 60.24682
_cell_volume 239.80611
_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
Tb1 Tb 0.83518 0.83518 0.00000 1.00000
Tb2 Tb 0.16482 0.16482 0.00000 1.00000
Ho1 Ho 0.67288 0.17288 0.50000 1.00000
Ho2 Ho 0.32712 0.82712 0.50000 1.00000
Ho3 Ho 0.00000 0.50000 0.50000 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Ru1 Ru 0.41898 0.66286 0.75612 1.00000
Ru2 Ru 0.26051 0.00000 0.26051 1.00000
Ru3 Ru 0.58102 0.33714 0.24388 1.00000
Ru4 Ru 0.09326 0.33714 0.75612 1.00000
Ru5 Ru 0.73949 0.00000 0.73949 1.00000
Ru6 Ru 0.90674 0.66286 0.24388 1.00000
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