AlPI8
Alexandria ALEXAlex-ID: agm003247652 · Space group: Pna2_1 (#33)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_26_spg33
AlPI8
2022-01-01 17:43:15.433171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003247652).
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 agm003247652
data_agm003247652
_cell_length_a 11.57433
_cell_length_b 12.14883
_cell_length_c 16.35932
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99972
_cell_volume 2300.35840
_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
Al1 Al 0.50220 0.45255 0.82268 1.00000
Al2 Al 0.49780 0.54745 0.32268 1.00000
Al3 Al 0.99782 0.95255 0.82268 1.00000
Al4 Al 0.00218 0.04745 0.32268 1.00000
I1 I 0.40650 0.52989 0.95238 1.00000
I2 I 0.59350 0.47011 0.45238 1.00000
I3 I 0.09352 0.02988 0.95238 1.00000
I4 I 0.90648 0.97012 0.45238 1.00000
I5 I 0.71888 0.42253 0.84818 1.00000
I6 I 0.28112 0.57747 0.34818 1.00000
I7 I 0.78114 0.92253 0.84818 1.00000
I8 I 0.21886 0.07747 0.34818 1.00000
I9 I 0.47545 0.57784 0.69810 1.00000
I10 I 0.52455 0.42216 0.19810 1.00000
I11 I 0.02457 0.07783 0.69810 1.00000
I12 I 0.97543 0.92217 0.19810 1.00000
I13 I 0.40194 0.26745 0.79431 1.00000
I14 I 0.59806 0.73255 0.29431 1.00000
I15 I 0.09808 0.76744 0.79431 1.00000
I16 I 0.90192 0.23256 0.29431 1.00000
I17 I 0.29272 0.02430 0.61970 1.00000
I18 I 0.70728 0.97570 0.11970 1.00000
I19 I 0.20728 0.52430 0.61969 1.00000
I20 I 0.79272 0.47570 0.11969 1.00000
I21 I 0.52266 0.88921 0.45435 1.00000
I22 I 0.47734 0.11079 0.95435 1.00000
I23 I 0.97733 0.38922 0.45435 1.00000
I24 I 0.02267 0.61078 0.95435 1.00000
I25 I 0.62494 0.98304 0.67992 1.00000
I26 I 0.37506 0.01696 0.17992 1.00000
I27 I 0.87507 0.48304 0.67993 1.00000
I28 I 0.12493 0.51696 0.17993 1.00000
I29 I 0.53073 0.21004 0.51112 1.00000
I30 I 0.46927 0.78996 0.01112 1.00000
I31 I 0.96926 0.71005 0.51113 1.00000
I32 I 0.03074 0.28995 0.01113 1.00000
P1 P 0.49194 0.02403 0.56579 1.00000
P2 P 0.50806 0.97597 0.06579 1.00000
P3 P 0.00806 0.52403 0.56579 1.00000
P4 P 0.99194 0.47597 0.06579 1.00000
