HfSc(AlCu2)2
Alexandria ALEXAlex-ID: agm040790176 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_43_spg5
HfSc(AlCu2)2
2024-09-13 11:19:32.289215
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040790176).
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 agm040790176
data_agm040790176
_cell_length_a 7.60468
_cell_length_b 7.60468
_cell_length_c 7.60468
_cell_angle_alpha 33.55291
_cell_angle_beta 33.55291
_cell_angle_gamma 33.55291
_cell_volume 119.66639
_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
Hf1 Hf 0.50000 0.50000 0.50000 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.74984 0.74984 0.74984 1.00000
Al2 Al 0.25016 0.25016 0.25016 1.00000
Cu1 Cu 0.37503 0.37503 0.37503 1.00000
Cu2 Cu 0.87526 0.87526 0.87526 1.00000
Cu3 Cu 0.12474 0.12474 0.12474 1.00000
Cu4 Cu 0.62497 0.62497 0.62497 1.00000
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