MgAl(H4Pt)2
Alexandria ALEXAlex-ID: agm007752107 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1933_spg1
MgH6Pt H2 AlPt
2024-02-08 07:24:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007752107).
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 agm007752107
data_agm007752107
_cell_length_a 3.87007
_cell_length_b 4.79437
_cell_length_c 6.56979
_cell_angle_alpha 97.55144
_cell_angle_beta 101.61087
_cell_angle_gamma 104.93344
_cell_volume 113.18848
_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 0.94283 0.77860 0.21914 1.00000
Al1 Al 0.69142 0.33262 0.75707 1.00000
H1 H 0.38007 0.91036 0.10309 1.00000
H2 H 0.52459 0.44734 0.01434 1.00000
H3 H 0.99118 0.23871 0.21251 1.00000
H4 H 0.65330 0.00481 0.82537 1.00000
H5 H 0.60163 0.33943 0.44943 1.00000
H6 H 0.03848 0.82848 0.77259 1.00000
H7 H 0.98271 0.01692 0.52723 1.00000
H8 H 0.29539 0.68890 0.44582 1.00000
Pt1 Pt 0.31919 0.66904 0.88531 1.00000
Pt2 Pt 0.11744 0.34646 0.47011 1.00000
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