K5Pr4Si4O16F
Alexandria ALEXAlex-ID: agm005264464 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4D5E16_0_spg82
K5Pr4Si4O16F
2022-12-13 03:11:11.019699
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005264464).
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 agm005264464
data_agm005264464
_cell_length_a 9.27511
_cell_length_b 9.27511
_cell_length_c 9.27511
_cell_angle_alpha 95.19529
_cell_angle_beta 95.19529
_cell_angle_gamma 144.97468
_cell_volume 436.72823
_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
K1 K 0.59361 0.10313 0.69584 1.00000
K2 K 0.40730 0.89778 0.30416 1.00000
K3 K 0.10222 0.40639 0.50952 1.00000
K4 K 0.89687 0.59270 0.49048 1.00000
K5 K 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.59871 0.66586 0.30158 1.00000
Pr2 Pr 0.36428 0.29713 0.69842 1.00000
Pr3 Pr 0.70287 0.40129 0.06715 1.00000
Pr4 Pr 0.33414 0.63572 0.93285 1.00000
Si1 Si 0.76567 0.90618 0.64972 1.00000
Si2 Si 0.25647 0.11596 0.35028 1.00000
Si3 Si 0.88404 0.23433 0.14051 1.00000
Si4 Si 0.09382 0.74353 0.85949 1.00000
O1 O 0.61831 0.87848 0.50669 1.00000
O2 O 0.37179 0.11162 0.49331 1.00000
O3 O 0.88838 0.38169 0.26017 1.00000
O4 O 0.12152 0.62821 0.73983 1.00000
O5 O 0.56643 0.70946 0.75113 1.00000
O6 O 0.95833 0.81530 0.24887 1.00000
O7 O 0.18470 0.43357 0.14303 1.00000
O8 O 0.29054 0.04167 0.85697 1.00000
O9 O 0.04166 0.21196 0.75896 1.00000
O10 O 0.45300 0.28270 0.24104 1.00000
O11 O 0.71730 0.95834 0.17030 1.00000
O12 O 0.78804 0.54700 0.82970 1.00000
O13 O 0.86278 0.83683 0.57150 1.00000
O14 O 0.26534 0.29128 0.42850 1.00000
O15 O 0.70872 0.13722 0.97406 1.00000
O16 O 0.16317 0.73466 0.02594 1.00000
F1 F 0.50000 0.50000 0.00000 1.00000
