C7I5
Alexandria ALEXAlex-ID: agm005509318 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_150_spg107
I C
2023-03-29 04:48:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509318).
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 agm005509318
data_agm005509318
_cell_length_a 8.03137
_cell_length_b 8.03152
_cell_length_c 8.03137
_cell_angle_alpha 111.02712
_cell_angle_beta 111.02600
_cell_angle_gamma 106.40282
_cell_volume 397.95078
_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
I1 I 0.23941 0.23943 0.00002 1.00000
I2 I 0.75149 0.35315 0.00009 1.00000
I3 I 0.35312 0.75154 0.00008 1.00000
I4 I 0.75147 0.75154 0.39843 1.00000
I5 I 0.35307 0.35315 0.60166 1.00000
C1 C 0.46661 0.46663 0.00002 1.00000
C2 C 0.54530 0.04527 0.49997 1.00000
C3 C 0.04530 0.54522 0.49992 1.00000
C4 C 0.54857 0.90517 0.35660 1.00000
C5 C 0.54855 0.19186 0.64331 1.00000
C6 C 0.19192 0.54851 0.64331 1.00000
C7 C 0.90520 0.54851 0.35660 1.00000
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