MgH8Pt2Pb
Alexandria ALEXAlex-ID: agm007604787 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_22_spg2
H6Pb H3Pt MgH6Pt PtPb
2025-05-28 04:01:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007604787).
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 agm007604787
data_agm007604787
_cell_length_a 4.94818
_cell_length_b 3.67962
_cell_length_c 8.13665
_cell_angle_alpha 76.95573
_cell_angle_beta 86.49692
_cell_angle_gamma 68.17658
_cell_volume 133.93873
_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 0.69508 0.14921 0.00612 1.00000
H1 H 0.08379 0.27890 0.35961 1.00000
H2 H 0.45059 0.17289 0.20395 1.00000
H3 H 0.17657 0.58959 0.64349 1.00000
H4 H 0.74210 0.55209 0.15443 1.00000
H5 H 0.16444 0.44986 0.93616 1.00000
H6 H 0.11064 0.86596 0.15800 1.00000
H7 H 0.92474 0.15518 0.76438 1.00000
H8 H 0.55429 0.80041 0.84437 1.00000
Pt1 Pt 0.10033 0.37304 0.15415 1.00000
Pt2 Pt 0.88445 0.67671 0.76159 1.00000
Pb1 Pb 0.61297 0.43615 0.51375 1.00000
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