Li4Pr2I9
Alexandria ALEXAlex-ID: agm005644722 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_141_spg2
Pr2I5 LiI
2023-06-16 22:34:22.654005
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644722).
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 agm005644722
data_agm005644722
_cell_length_a 7.71806
_cell_length_b 7.71674
_cell_length_c 21.07254
_cell_angle_alpha 90.00575
_cell_angle_beta 90.00193
_cell_angle_gamma 59.99293
_cell_volume 1086.82168
_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
Li1 Li 0.33352 0.33332 0.98856 1.00000
Li2 Li 0.33318 0.33339 0.48860 1.00000
Li3 Li 0.66648 0.66668 0.01144 1.00000
Li4 Li 0.33296 0.33354 0.15878 1.00000
Li5 Li 0.66682 0.66661 0.51140 1.00000
Li6 Li 0.66630 0.66671 0.34117 1.00000
Li7 Li 0.33370 0.33329 0.65883 1.00000
Li8 Li 0.66704 0.66646 0.84122 1.00000
Pr1 Pr 0.99979 0.00003 0.33852 1.00000
Pr2 Pr 0.99978 0.00006 0.16147 1.00000
Pr3 Pr 0.00021 0.99997 0.66148 1.00000
Pr4 Pr 0.00022 0.99994 0.83853 1.00000
I1 I 0.00024 0.33922 0.75001 1.00000
I2 I 0.33950 0.66068 0.74999 1.00000
I3 I 0.66098 0.99998 0.75000 1.00000
I4 I 0.99976 0.66078 0.24999 1.00000
I5 I 0.66050 0.33932 0.25001 1.00000
I6 I 0.33902 0.00002 0.25000 1.00000
I7 I 0.65729 0.98392 0.41837 1.00000
I8 I 0.98372 0.35866 0.41838 1.00000
I9 I 0.35841 0.65751 0.41840 1.00000
I10 I 0.64118 0.01617 0.08162 1.00000
I11 I 0.34234 0.64143 0.08161 1.00000
I12 I 0.01594 0.34250 0.08160 1.00000
I13 I 0.34271 0.01608 0.58163 1.00000
I14 I 0.01628 0.64134 0.58162 1.00000
I15 I 0.64159 0.34249 0.58160 1.00000
I16 I 0.35882 0.98383 0.91838 1.00000
I17 I 0.65766 0.35857 0.91839 1.00000
I18 I 0.98406 0.65750 0.91840 1.00000
