Pr8InAg2
Alexandria ALEXAlex-ID: agm003530202 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_281_spg12
Pr3In Pr PrAg
2022-03-13 14:13:24.073150
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003530202).
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 agm003530202
data_agm003530202
_cell_length_a 5.62214
_cell_length_b 8.64206
_cell_length_c 8.64206
_cell_angle_alpha 116.67364
_cell_angle_beta 99.67514
_cell_angle_gamma 99.67514
_cell_volume 355.45559
_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 0.91065 0.91663 0.68921 1.00000
Pr2 Pr 0.91065 0.68921 0.91663 1.00000
Pr3 Pr 0.30748 0.60519 0.60519 1.00000
Pr4 Pr 0.50000 0.76777 0.23223 1.00000
Pr5 Pr 0.50000 0.23223 0.76777 1.00000
Pr6 Pr 0.69252 0.39481 0.39481 1.00000
Pr7 Pr 0.08935 0.31079 0.08337 1.00000
Pr8 Pr 0.08935 0.08337 0.31079 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
Ag1 Ag 0.00000 0.31002 0.68998 1.00000
Ag2 Ag 0.00000 0.68998 0.31002 1.00000
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