Ho2Ni2Ge5Ru
Alexandria ALEXAlex-ID: agm044494510 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_56_spg15
HoNiGe2 Ho2Ge5Ru3 Ho(NiGe)2 Ge3Ru2
2024-11-08 00:52:30.150113
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044494510).
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 agm044494510
data_agm044494510
_cell_length_a 8.17713
_cell_length_b 8.17713
_cell_length_c 8.17713
_cell_angle_alpha 137.46977
_cell_angle_beta 106.03216
_cell_angle_gamma 89.24954
_cell_volume 339.62693
_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 0.90163 0.13525 0.76638 1.00000
Ho2 Ho 0.36886 0.63525 0.73362 1.00000
Ho3 Ho 0.09837 0.86475 0.23362 1.00000
Ho4 Ho 0.63114 0.36475 0.26638 1.00000
Ni1 Ni 0.96461 0.36017 0.60444 1.00000
Ni2 Ni 0.75573 0.86017 0.89556 1.00000
Ni3 Ni 0.03539 0.63983 0.39556 1.00000
Ni4 Ni 0.24427 0.13983 0.10444 1.00000
Ge1 Ge 0.23428 0.40196 0.83231 1.00000
Ge2 Ge 0.56965 0.90196 0.66769 1.00000
Ge3 Ge 0.76572 0.59804 0.16769 1.00000
Ge4 Ge 0.43035 0.09804 0.33231 1.00000
Ge5 Ge 0.00000 0.25000 0.25000 1.00000
Ge6 Ge 0.00000 0.75000 0.75000 1.00000
Ge7 Ge 0.72715 0.97715 0.25000 1.00000
Ge8 Ge 0.27285 0.02285 0.75000 1.00000
Ge9 Ge 0.27285 0.52285 0.25000 1.00000
Ge10 Ge 0.72715 0.47715 0.75000 1.00000
Ru1 Ru 0.50000 0.75000 0.25000 1.00000
Ru2 Ru 0.50000 0.25000 0.75000 1.00000
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