OsPb4
Alexandria ALEXAlex-ID: agm005408914 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_555_spg12
Pb Os
2023-03-17 19:26:01.690259
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005408914).
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
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# CIF generated by HEAS from Alexandria entry agm005408914
data_agm005408914
_cell_length_a 5.61378
_cell_length_b 5.61378
_cell_length_c 5.61378
_cell_angle_alpha 103.37199
_cell_angle_beta 103.37199
_cell_angle_gamma 122.51058
_cell_volume 130.80673
_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
Os1 Os 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.19625 0.63748 0.83373 1.00000
Pb2 Pb 0.63748 0.80375 0.44124 1.00000
Pb3 Pb 0.80375 0.36252 0.16627 1.00000
Pb4 Pb 0.36252 0.19625 0.55876 1.00000
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