Ho6MgCo2
Alexandria ALEXAlex-ID: agm005705543 · 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
Ho4Mg3Co2 Ho5Co2 Ho4MgCo
2023-07-12 21:17:20.485586
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705543).
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 agm005705543
data_agm005705543
_cell_length_a 8.34096
_cell_length_b 8.34096
_cell_length_c 8.34096
_cell_angle_alpha 106.44664
_cell_angle_beta 112.34149
_cell_angle_gamma 109.67909
_cell_volume 445.52844
_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 0.53192 0.81663 0.71528 1.00000
Ho2 Ho 0.46808 0.18337 0.28472 1.00000
Ho3 Ho 0.10135 0.81663 0.28472 1.00000
Ho4 Ho 0.89865 0.18337 0.71528 1.00000
Ho5 Ho 0.79557 0.03168 0.23611 1.00000
Ho6 Ho 0.20443 0.96832 0.76389 1.00000
Ho7 Ho 0.20443 0.44054 0.23611 1.00000
Ho8 Ho 0.79557 0.55946 0.76389 1.00000
Ho9 Ho 0.68633 0.32033 0.00666 1.00000
Ho10 Ho 0.31367 0.67967 0.99334 1.00000
Ho11 Ho 0.31367 0.32033 0.63400 1.00000
Ho12 Ho 0.68633 0.67967 0.36600 1.00000
Mg1 Mg 0.00000 0.50000 0.50000 1.00000
Mg2 Mg 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.50000 0.11384 0.61384 1.00000
Co2 Co 0.50000 0.88616 0.38616 1.00000
Co3 Co 0.67114 0.67114 1.00000 1.00000
Co4 Co 0.32886 0.32886 0.00000 1.00000
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