HfMg2ScPt4
Alexandria ALEXAlex-ID: agm034011802 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_367_spg23
MgScPt2 HfMg2Pt3 HfPt
2025-02-27 16:31:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034011802).
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 agm034011802
data_agm034011802
_cell_length_a 7.97364
_cell_length_b 7.97364
_cell_length_c 7.97364
_cell_angle_alpha 33.47975
_cell_angle_beta 33.47975
_cell_angle_gamma 33.47975
_cell_volume 137.39551
_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 0.50000 0.50000 0.50000 1.00000
Mg1 Mg 0.25178 0.25178 0.25178 1.00000
Mg2 Mg 0.74822 0.74822 0.74822 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.62304 0.62304 0.62304 1.00000
Pt2 Pt 0.12707 0.12707 0.12707 1.00000
Pt3 Pt 0.87293 0.87293 0.87293 1.00000
Pt4 Pt 0.37696 0.37696 0.37696 1.00000
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