Mo3Pb4
Alexandria ALEXAlex-ID: agm005486748 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_17_spg139
Pb Mo
2023-03-19 11:12:11.433792
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486748).
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 agm005486748
data_agm005486748
_cell_length_a 16.13474
_cell_length_b 16.13474
_cell_length_c 16.13474
_cell_angle_alpha 168.48952
_cell_angle_beta 168.48952
_cell_angle_gamma 16.30589
_cell_volume 167.24557
_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
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
Mo2 Mo 0.72988 0.72988 0.00000 1.00000
Mo3 Mo 0.27012 0.27012 0.00000 1.00000
Pb1 Pb 0.83540 0.83540 0.00000 1.00000
Pb2 Pb 0.16460 0.16460 0.00000 1.00000
Pb3 Pb 0.56407 0.56407 0.00000 1.00000
Pb4 Pb 0.43593 0.43593 0.00000 1.00000
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