Ho6BiRu2
Alexandria ALEXAlex-ID: agm005697107 · 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
AB2C6_1783_spg71
Ho2Ru Ho5Bi2Ru Ho5Ru2
2023-07-09 07:35:19.239325
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697107).
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 agm005697107
data_agm005697107
_cell_length_a 8.51877
_cell_length_b 8.51877
_cell_length_c 8.51877
_cell_angle_alpha 105.01197
_cell_angle_beta 110.70121
_cell_angle_gamma 112.79808
_cell_volume 473.57916
_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 0.53245 0.71388 0.81856 1.00000
Ho2 Ho 0.46755 0.28612 0.18144 1.00000
Ho3 Ho 0.10468 0.28612 0.81856 1.00000
Ho4 Ho 0.89532 0.71388 0.18144 1.00000
Ho5 Ho 0.78558 0.76110 0.54668 1.00000
Ho6 Ho 0.21442 0.23890 0.45332 1.00000
Ho7 Ho 0.21442 0.76110 0.97552 1.00000
Ho8 Ho 0.78558 0.23890 0.02448 1.00000
Ho9 Ho 0.68573 0.35487 0.66914 1.00000
Ho10 Ho 0.31427 0.64513 0.33086 1.00000
Ho11 Ho 0.31427 0.98340 0.66914 1.00000
Ho12 Ho 0.68573 0.01660 0.33086 1.00000
Bi1 Bi 0.00000 0.50000 0.50000 1.00000
Bi2 Bi 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.50000 0.37260 0.87260 1.00000
Ru2 Ru 0.50000 0.62740 0.12740 1.00000
Ru3 Ru 0.66774 0.00000 0.66774 1.00000
Ru4 Ru 0.33226 1.00000 0.33226 1.00000
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