U2AgI8
Alexandria ALEXAlex-ID: agm005999293 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_139_spg164
UI4 Ag
2023-09-24 10:31:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999293).
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 agm005999293
data_agm005999293
_cell_length_a 6.28082
_cell_length_b 9.69397
_cell_length_c 9.70410
_cell_angle_alpha 119.99766
_cell_angle_beta 89.99439
_cell_angle_gamma 89.99573
_cell_volume 511.69841
_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
U1 U 0.22459 0.33350 0.66685 1.00000
U2 U 0.77541 0.66650 0.33313 1.00000
Ag1 Ag 0.00000 0.00000 0.00001 1.00000
I1 I 0.26330 0.66654 0.33316 1.00000
I2 I 0.73670 0.33346 0.66680 1.00000
I3 I 0.74880 0.84057 0.15775 1.00000
I4 I 0.25109 0.15799 0.31765 1.00000
I5 I 0.25129 0.68316 0.84074 1.00000
I6 I 0.25120 0.15944 0.84224 1.00000
I7 I 0.74891 0.84200 0.68233 1.00000
I8 I 0.74871 0.31684 0.15926 1.00000
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