PrAg(PO3)2
Alexandria ALEXAlex-ID: agm004945003 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1674_spg15
Pr(PO3)3 Ag3P11 PrPO4 Ag
2022-07-31 00:54:11.663996
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945003).
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 agm004945003
data_agm004945003
_cell_length_a 7.02793
_cell_length_b 7.02793
_cell_length_c 8.05619
_cell_angle_alpha 107.49336
_cell_angle_beta 107.49336
_cell_angle_gamma 102.92110
_cell_volume 339.71211
_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
Pr1 Pr 0.56585 0.43415 0.25000 1.00000
Pr2 Pr 0.43415 0.56585 0.75000 1.00000
Ag1 Ag 0.17195 0.82805 0.25000 1.00000
Ag2 Ag 0.82805 0.17195 0.75000 1.00000
P1 P 0.47476 0.12216 0.73624 1.00000
P2 P 0.87784 0.52524 0.76376 1.00000
P3 P 0.52524 0.87784 0.26376 1.00000
P4 P 0.12216 0.47476 0.23624 1.00000
O1 O 0.90560 0.44252 0.24768 1.00000
O2 O 0.55748 0.09440 0.25232 1.00000
O3 O 0.09440 0.55748 0.75232 1.00000
O4 O 0.44252 0.90560 0.74768 1.00000
O5 O 0.14262 0.32409 0.06367 1.00000
O6 O 0.67591 0.85738 0.43633 1.00000
O7 O 0.85738 0.67591 0.93633 1.00000
O8 O 0.32409 0.14262 0.56367 1.00000
O9 O 0.29952 0.48495 0.41118 1.00000
O10 O 0.51505 0.70048 0.08882 1.00000
O11 O 0.70048 0.51505 0.58882 1.00000
O12 O 0.48495 0.29952 0.91118 1.00000
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