MgMn4H8Pb
Alexandria ALEXAlex-ID: agm006997697 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_89_spg160
Mn4H3 Mg3MnH7 Pb H6Pb
2024-01-28 15:09:23.900592
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006997697).
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 agm006997697
data_agm006997697
_cell_length_a 5.81366
_cell_length_b 5.81366
_cell_length_c 5.81366
_cell_angle_alpha 55.15099
_cell_angle_beta 55.15099
_cell_angle_gamma 55.15099
_cell_volume 123.27615
_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 0.00446 0.00446 0.00446 1.00000
Mn1 Mn 0.62973 0.62973 0.62973 1.00000
Mn2 Mn 0.99766 0.99766 0.51399 1.00000
Mn3 Mn 0.99766 0.51399 0.99766 1.00000
Mn4 Mn 0.51399 0.99766 0.99766 1.00000
H1 H 0.26074 0.26074 0.82568 1.00000
H2 H 0.26074 0.82568 0.26074 1.00000
H3 H 0.82568 0.26074 0.26074 1.00000
H4 H 0.20698 0.20698 0.20698 1.00000
H5 H 0.73158 0.73158 0.22435 1.00000
H6 H 0.73158 0.22435 0.73158 1.00000
H7 H 0.22435 0.73158 0.73158 1.00000
H8 H 0.76539 0.76539 0.76539 1.00000
Pb1 Pb 0.34947 0.34947 0.34947 1.00000
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