Ho3(GaCu)4
Alexandria ALEXAlex-ID: agm005695403 · 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
A3B4C4_1_spg71
Ho3Ga5Cu6 Ho3(Ga2Cu)2 HoGaCu
2023-06-29 19:43:16.799554
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695403).
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 agm005695403
data_agm005695403
_cell_length_a 4.22875
_cell_length_b 6.77988
_cell_length_c 8.00005
_cell_angle_alpha 115.07093
_cell_angle_beta 105.32508
_cell_angle_gamma 89.99999
_cell_volume 198.71436
_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 0.12965 0.12965 0.25930 1.00000
Ho2 Ho 0.87035 0.87035 0.74070 1.00000
Ho3 Ho 0.00000 0.50000 0.00000 1.00000
Ga1 Ga 0.21853 0.71853 0.43706 1.00000
Ga2 Ga 0.78147 0.28147 0.56294 1.00000
Ga3 Ga 0.50000 0.81229 1.00000 1.00000
Ga4 Ga 0.50000 0.18771 0.00000 1.00000
Cu1 Cu 0.32896 0.14179 0.65791 1.00000
Cu2 Cu 0.67104 0.48387 0.34209 1.00000
Cu3 Cu 0.67104 0.85821 0.34209 1.00000
Cu4 Cu 0.32896 0.51613 0.65791 1.00000
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