MgMn(H3Pt)2
Alexandria ALEXAlex-ID: agm007477992 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_17_spg2
MgH6Pt MnPt
2024-03-15 22:22:50.926819
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007477992).
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 agm007477992
data_agm007477992
_cell_length_a 5.10987
_cell_length_b 5.48268
_cell_length_c 4.25777
_cell_angle_alpha 61.49911
_cell_angle_beta 67.22957
_cell_angle_gamma 74.36712
_cell_volume 96.12803
_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 0.50000 0.50000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
H1 H 0.85017 0.67413 0.04113 1.00000
H2 H 0.88498 0.68715 0.51041 1.00000
H3 H 0.33716 0.82699 0.71003 1.00000
H4 H 0.14983 0.32587 0.95887 1.00000
H5 H 0.11502 0.31285 0.48959 1.00000
H6 H 0.66284 0.17301 0.28997 1.00000
Pt1 Pt 0.65876 0.86565 0.75824 1.00000
Pt2 Pt 0.34124 0.13435 0.24176 1.00000
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