Mg8GaPb2
Alexandria ALEXAlex-ID: agm005890542 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_306_spg12
Mg3Pb Mg2Ga
2023-09-27 00:11:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005890542).
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 agm005890542
data_agm005890542
_cell_length_a 5.06545
_cell_length_b 5.59258
_cell_length_c 9.63779
_cell_angle_alpha 98.86568
_cell_angle_beta 105.23574
_cell_angle_gamma 90.00006
_cell_volume 260.04981
_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 0.57746 0.59617 0.15491 1.00000
Mg2 Mg 0.34628 0.86660 0.69257 1.00000
Mg3 Mg 0.24630 0.32889 0.49259 1.00000
Mg4 Mg 0.04227 0.26070 0.08455 1.00000
Mg5 Mg 0.75370 0.67111 0.50741 1.00000
Mg6 Mg 0.65371 0.13340 0.30743 1.00000
Mg7 Mg 0.42254 0.40383 0.84509 1.00000
Mg8 Mg 0.95773 0.73930 0.91545 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Pb1 Pb 0.16400 0.77619 0.32800 1.00000
Pb2 Pb 0.83600 0.22381 0.67200 1.00000
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