MgPHPt3
Alexandria ALEXAlex-ID: agm006832101 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_370_spg63
MgH6Pt MgPPt5 MgPt P2Pt
2024-03-06 03:29:32.323446
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006832101).
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 agm006832101
data_agm006832101
_cell_length_a 5.63229
_cell_length_b 6.27116
_cell_length_c 5.55326
_cell_angle_alpha 94.31797
_cell_angle_beta 97.52868
_cell_angle_gamma 114.36005
_cell_volume 175.31789
_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 0.34126 0.53924 0.24918 1.00000
Mg2 Mg 0.65874 0.46076 0.75082 1.00000
P1 P 0.37950 0.82441 0.76730 1.00000
P2 P 0.62050 0.17559 0.23270 1.00000
H1 H 0.89842 0.69060 0.04416 1.00000
H2 H 0.10158 0.30940 0.95584 1.00000
Pt1 Pt 0.12072 0.42863 0.67789 1.00000
Pt2 Pt 0.75012 0.89278 0.07531 1.00000
Pt3 Pt 0.26244 0.05596 0.43423 1.00000
Pt4 Pt 0.73756 0.94404 0.56577 1.00000
Pt5 Pt 0.24988 0.10722 0.92469 1.00000
Pt6 Pt 0.87928 0.57137 0.32211 1.00000
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