Mg2H3Pb
Alexandria ALEXAlex-ID: agm007374638 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2164_spg12
MgH2 Pb MgPb
2025-05-26 21:25:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007374638).
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 agm007374638
data_agm007374638
_cell_length_a 6.11243
_cell_length_b 6.11243
_cell_length_c 8.97540
_cell_angle_alpha 80.08875
_cell_angle_beta 99.91125
_cell_angle_gamma 148.58914
_cell_volume 171.95200
_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 0.39946 0.60054 0.25929 1.00000
Mg2 Mg 0.60054 0.39946 0.74071 1.00000
Mg3 Mg 0.86943 0.13057 0.56512 1.00000
Mg4 Mg 0.13057 0.86943 0.43488 1.00000
H1 H 0.28883 0.71117 0.41376 1.00000
H2 H 0.93128 0.06872 0.37989 1.00000
H3 H 0.57120 0.42880 0.33964 1.00000
H4 H 0.42880 0.57120 0.66036 1.00000
H5 H 0.06872 0.93128 0.62011 1.00000
H6 H 0.71117 0.28883 0.58624 1.00000
Pb1 Pb 0.86242 0.13758 0.94601 1.00000
Pb2 Pb 0.13758 0.86242 0.05399 1.00000
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