MgH5Pt
Alexandria ALEXAlex-ID: agm098945658 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_2585_spg1
MgH6Pt MgPt
2025-05-27 00:02:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098945658).
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 agm098945658
data_agm098945658
_cell_length_a 4.54859
_cell_length_b 5.01017
_cell_length_c 6.56587
_cell_angle_alpha 105.68077
_cell_angle_beta 109.74267
_cell_angle_gamma 90.65216
_cell_volume 134.72077
_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
Mg1 Mg 0.95136 0.47448 0.92127 1.00000
Mg2 Mg 0.20471 0.82354 0.45559 1.00000
H1 H 0.94887 0.00313 0.90674 1.00000
H2 H 0.29825 0.83724 0.16753 1.00000
H3 H 0.56040 0.16397 0.60977 1.00000
H4 H 0.57654 0.61368 0.62472 1.00000
H5 H 0.35613 0.33971 0.13400 1.00000
H6 H 0.83361 0.02490 0.96984 1.00000
H7 H 0.80227 0.92681 0.25540 1.00000
H8 H 0.08266 0.17126 0.67954 1.00000
H9 H 0.86632 0.42726 0.22172 1.00000
H10 H 0.10841 0.66041 0.70289 1.00000
Pt1 Pt 0.32880 0.40362 0.65891 1.00000
Pt2 Pt 0.58167 0.63001 0.19209 1.00000
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