Ho2Mg4Sc
Alexandria ALEXAlex-ID: agm005963847 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_564_spg166
HoMg3 MgSc HoMg
2023-10-13 19:26:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005963847).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005963847
data_agm005963847
_cell_length_a 5.21204
_cell_length_b 5.21204
_cell_length_c 8.22519
_cell_angle_alpha 71.52843
_cell_angle_beta 71.52843
_cell_angle_gamma 59.99999
_cell_volume 180.09026
_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 0.71161 0.71161 0.86518 1.00000
Ho2 Ho 0.28839 0.28839 0.13482 1.00000
Mg1 Mg 0.86221 0.86221 0.41338 1.00000
Mg2 Mg 0.13779 0.13779 0.58662 1.00000
Mg3 Mg 0.56982 0.56982 0.29055 1.00000
Mg4 Mg 0.43018 0.43018 0.70945 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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