Mg2ScPb3
Alexandria ALEXAlex-ID: agm005723027 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_57_spg65
ScPb MgPb
2023-08-22 13:45:33.113838
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005723027).
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 agm005723027
data_agm005723027
_cell_length_a 4.32614
_cell_length_b 4.74076
_cell_length_c 7.79593
_cell_angle_alpha 107.70121
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 152.31838
_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 0.00000 0.66565 0.33130 1.00000
Mg2 Mg 0.00000 0.33435 0.66870 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.50000 0.16587 0.33174 1.00000
Pb2 Pb 0.50000 0.50000 0.00000 1.00000
Pb3 Pb 0.50000 0.83413 0.66826 1.00000
