Ho4MgCd2
Alexandria ALEXAlex-ID: agm005991676 · 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
AB2C4_118_spg166
Ho2Cd Ho3MgCd2 Ho2Mg
2023-10-13 19:21:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991676).
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 agm005991676
data_agm005991676
_cell_length_a 5.23001
_cell_length_b 5.23001
_cell_length_c 8.77410
_cell_angle_alpha 72.66028
_cell_angle_beta 72.66028
_cell_angle_gamma 59.99999
_cell_volume 195.14850
_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 0.86761 0.86761 0.39717 1.00000
Ho2 Ho 0.13239 0.13239 0.60283 1.00000
Ho3 Ho 0.61131 0.61131 0.16608 1.00000
Ho4 Ho 0.38869 0.38869 0.83392 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.74044 0.74044 0.77869 1.00000
Cd2 Cd 0.25956 0.25956 0.22131 1.00000
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