PrAg4H7
Alexandria ALEXAlex-ID: agm007336121 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_147_spg2
PrH3 H2 Ag
2024-02-08 10:28:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007336121).
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 agm007336121
data_agm007336121
_cell_length_a 5.11601
_cell_length_b 5.11601
_cell_length_c 6.66581
_cell_angle_alpha 83.66908
_cell_angle_beta 83.66908
_cell_angle_gamma 119.66457
_cell_volume 147.90692
_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 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.24408 0.57101 0.25395 1.00000
Ag2 Ag 0.75592 0.42899 0.74605 1.00000
Ag3 Ag 0.57101 0.24408 0.25395 1.00000
Ag4 Ag 0.42899 0.75592 0.74605 1.00000
H1 H 0.17257 0.17257 0.32903 1.00000
H2 H 0.82743 0.82743 0.67097 1.00000
H3 H 0.39475 0.09249 0.72045 1.00000
H4 H 0.60525 0.90751 0.27955 1.00000
H5 H 0.90751 0.60525 0.27955 1.00000
H6 H 0.50000 0.50000 0.00000 1.00000
H7 H 0.09249 0.39475 0.72045 1.00000
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