PrH4F8
Alexandria ALEXAlex-ID: agm085543230 · Space group: P432 (#207)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_658_spg8
PrH3F12 HF PrF3
2025-02-26 16:25:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm085543230).
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 agm085543230
data_agm085543230
_cell_length_a 9.25533
_cell_length_b 9.25533
_cell_length_c 9.25533
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 792.82120
_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 0.50000 0.00000 0.00000 1.00000
Pr2 Pr 0.00000 0.50000 0.00000 1.00000
Pr3 Pr 0.00000 0.00000 0.50000 1.00000
H1 H 0.00000 0.71506 0.71506 1.00000
H2 H 0.00000 0.28494 0.71506 1.00000
H3 H 0.00000 0.71506 0.28494 1.00000
H4 H 0.00000 0.28494 0.28494 1.00000
H5 H 0.71506 0.00000 0.71506 1.00000
H6 H 0.71506 0.00000 0.28494 1.00000
H7 H 0.28494 0.00000 0.71506 1.00000
H8 H 0.28494 0.00000 0.28494 1.00000
H9 H 0.71506 0.71506 0.00000 1.00000
H10 H 0.28494 0.71506 0.00000 1.00000
H11 H 0.71506 0.28494 0.00000 1.00000
H12 H 0.28494 0.28494 0.00000 1.00000
F1 F 0.93779 0.64123 0.20766 1.00000
F2 F 0.06221 0.35877 0.20766 1.00000
F3 F 0.06221 0.64123 0.79234 1.00000
F4 F 0.93779 0.35877 0.79234 1.00000
F5 F 0.20766 0.93779 0.64123 1.00000
F6 F 0.20766 0.06221 0.35877 1.00000
F7 F 0.79234 0.06221 0.64123 1.00000
F8 F 0.79234 0.93779 0.35877 1.00000
F9 F 0.64123 0.20766 0.93779 1.00000
F10 F 0.35877 0.20766 0.06221 1.00000
F11 F 0.64123 0.79234 0.06221 1.00000
F12 F 0.35877 0.79234 0.93779 1.00000
F13 F 0.64123 0.93779 0.79234 1.00000
F14 F 0.35877 0.06221 0.79234 1.00000
F15 F 0.64123 0.06221 0.20766 1.00000
F16 F 0.35877 0.93779 0.20766 1.00000
F17 F 0.93779 0.20766 0.35877 1.00000
F18 F 0.06221 0.20766 0.64123 1.00000
F19 F 0.06221 0.79234 0.35877 1.00000
F20 F 0.93779 0.79234 0.64123 1.00000
F21 F 0.20766 0.64123 0.06221 1.00000
F22 F 0.20766 0.35877 0.93779 1.00000
F23 F 0.79234 0.64123 0.93779 1.00000
F24 F 0.79234 0.35877 0.06221 1.00000
