Na(PrAg2)2
Alexandria ALEXAlex-ID: agm006010072 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_27_spg166
PrAg2 Na
2023-10-13 21:11:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010072).
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 agm006010072
data_agm006010072
_cell_length_a 4.93652
_cell_length_b 4.93652
_cell_length_c 9.95611
_cell_angle_alpha 60.11049
_cell_angle_beta 60.11067
_cell_angle_gamma 59.92871
_cell_volume 171.75351
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.85927 0.85927 0.71073 1.00000
Pr2 Pr 0.14073 0.14073 0.28927 1.00000
Ag1 Ag 0.65779 0.65779 0.51312 1.00000
Ag2 Ag 0.34221 0.34221 0.48688 1.00000
Ag3 Ag 0.60013 0.60013 0.10009 1.00000
Ag4 Ag 0.39987 0.39987 0.89991 1.00000
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