Mg2H5Pt2
Alexandria ALEXAlex-ID: agm007307640 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1008_spg46
MgH6Pt MgPt
2024-02-08 23:47:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007307640).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007307640
data_agm007307640
_cell_length_a 8.14300
_cell_length_b 8.14300
_cell_length_c 8.14300
_cell_angle_alpha 145.24797
_cell_angle_beta 143.95746
_cell_angle_gamma 50.93459
_cell_volume 180.15566
_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 0.12217 0.66893 0.51055 1.00000
Mg2 Mg 0.87783 0.38838 0.54676 1.00000
Mg3 Mg 0.65838 0.16893 0.54676 1.00000
Mg4 Mg 0.34162 0.88838 0.51055 1.00000
H1 H 0.73751 0.14524 0.90671 1.00000
H2 H 0.26249 0.16920 0.40773 1.00000
H3 H 0.73853 0.64524 0.40773 1.00000
H4 H 0.26147 0.66920 0.90671 1.00000
H5 H 0.10641 0.15641 0.99756 1.00000
H6 H 0.89359 0.89115 0.05000 1.00000
H7 H 0.65885 0.65641 0.05000 1.00000
H8 H 0.34115 0.39115 0.99756 1.00000
H9 H 0.50438 0.04236 0.04674 1.00000
H10 H 0.49562 0.54236 0.53799 1.00000
Pt1 Pt 0.00000 0.90086 0.90086 1.00000
Pt2 Pt 0.50000 0.40086 0.90086 1.00000
Pt3 Pt 0.22343 0.30147 0.02490 1.00000
Pt4 Pt 0.77657 0.80147 0.07805 1.00000
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