Ba7Pr2Ag3
Alexandria ALEXAlex-ID: agm101823964 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_777_spg1
Ba3Ag2 Ba Pr
2025-05-15 10:20:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101823964).
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 agm101823964
data_agm101823964
_cell_length_a 7.08564
_cell_length_b 7.33754
_cell_length_c 12.26736
_cell_angle_alpha 74.77564
_cell_angle_beta 76.76824
_cell_angle_gamma 61.49704
_cell_volume 536.76881
_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
Ba1 Ba 0.71339 0.32494 0.54002 1.00000
Ba2 Ba 0.59350 0.23498 0.24221 1.00000
Ba3 Ba 0.96379 0.62498 0.20229 1.00000
Ba4 Ba 0.25972 0.88219 0.34771 1.00000
Ba5 Ba 0.35499 0.95224 0.69159 1.00000
Ba6 Ba 0.72245 0.14276 0.90102 1.00000
Ba7 Ba 0.01668 0.60056 0.70996 1.00000
Pr1 Pr 0.56625 0.68083 0.99719 1.00000
Pr2 Pr 0.15039 0.21107 0.01128 1.00000
Ag1 Ag 0.19282 0.63540 0.93348 1.00000
Ag2 Ag 0.77398 0.80821 0.46062 1.00000
Ag3 Ag 0.19203 0.40183 0.46265 1.00000
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