CaHo2(CoSi)6
Alexandria ALEXAlex-ID: agm020439262 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6D6_22_spg139
Ca(CoSi)2 Ho(CoSi)2
2024-10-30 17:05:45.237056
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020439262).
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 agm020439262
data_agm020439262
_cell_length_a 14.95298
_cell_length_b 14.95298
_cell_length_c 14.95298
_cell_angle_alpha 165.11060
_cell_angle_beta 165.11060
_cell_angle_gamma 21.11691
_cell_volume 220.71461
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.33204 0.33204 0.00000 1.00000
Ho2 Ho 0.66796 0.66796 0.00000 1.00000
Co1 Co 0.41516 0.91516 0.50000 1.00000
Co2 Co 0.75000 0.25000 0.50000 1.00000
Co3 Co 0.08484 0.58484 0.50000 1.00000
Co4 Co 0.91516 0.41516 0.50000 1.00000
Co5 Co 0.25000 0.75000 0.50000 1.00000
Co6 Co 0.58484 0.08484 0.50000 1.00000
Si1 Si 0.45554 0.45554 0.00000 1.00000
Si2 Si 0.79049 0.79049 0.00000 1.00000
Si3 Si 0.12487 0.12487 0.00000 1.00000
Si4 Si 0.87513 0.87513 0.00000 1.00000
Si5 Si 0.20951 0.20951 0.00000 1.00000
Si6 Si 0.54446 0.54446 0.00000 1.00000
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