Hf3Cr7Co2
Alexandria ALEXAlex-ID: agm024255111 · 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
A2B3C7_3_spg166
HfCr2 Cr HfCo
2025-05-15 23:47:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024255111).
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 agm024255111
data_agm024255111
_cell_length_a 8.62276
_cell_length_b 8.62276
_cell_length_c 8.62276
_cell_angle_alpha 32.84417
_cell_angle_beta 32.84417
_cell_angle_gamma 32.84417
_cell_volume 167.78242
_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 0.00000 0.00000 0.00000 1.00000
Hf2 Hf 0.14304 0.14304 0.14304 1.00000
Hf3 Hf 0.85696 0.85696 0.85696 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
Cr2 Cr 0.07724 0.58541 0.58541 1.00000
Cr3 Cr 0.58541 0.58541 0.07724 1.00000
Cr4 Cr 0.58541 0.07724 0.58541 1.00000
Cr5 Cr 0.92276 0.41459 0.41459 1.00000
Cr6 Cr 0.41459 0.92276 0.41459 1.00000
Cr7 Cr 0.41459 0.41459 0.92276 1.00000
Co1 Co 0.33374 0.33374 0.33374 1.00000
Co2 Co 0.66626 0.66626 0.66626 1.00000
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