Na2OsPb
Alexandria ALEXAlex-ID: agm002863385 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_185_spg122
Na5Pb2 Os NaPb
2016-12-31 10:16:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002863385).
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 agm002863385
data_agm002863385
_cell_length_a 8.48419
_cell_length_b 8.48419
_cell_length_c 6.57556
_cell_angle_alpha 49.82454
_cell_angle_beta 49.82454
_cell_angle_gamma 90.00000
_cell_volume 193.77938
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.75000 0.25000 0.50000 1.00000
Na1 Na 0.59619 0.12500 0.25000 1.00000
Na2 Na 0.15381 0.62500 0.25000 1.00000
Na3 Na 0.37500 0.40381 0.75000 1.00000
Na4 Na 0.87500 0.84619 0.75000 1.00000
Os1 Os 0.50000 0.50000 0.00000 1.00000
Os2 Os 0.25000 0.75000 0.50000 1.00000
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