Y7CoI12
Alexandria ALEXAlex-ID: agm005775042 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_6_spg148
Y7CoI12
2023-07-15 17:30:41.492931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005775042).
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 agm005775042
data_agm005775042
_cell_length_a 9.74854
_cell_length_b 9.74854
_cell_length_c 9.74854
_cell_angle_alpha 106.79149
_cell_angle_beta 106.79149
_cell_angle_gamma 106.79150
_cell_volume 775.89830
_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
Y1 Y 0.97904 0.71176 0.90778 1.00000
Y2 Y 0.28824 0.09222 0.02096 1.00000
Y3 Y 0.09222 0.02096 0.28824 1.00000
Y4 Y 0.50000 0.50000 0.50000 1.00000
Y5 Y 0.90778 0.97904 0.71176 1.00000
Y6 Y 0.71176 0.90778 0.97904 1.00000
Y7 Y 0.02096 0.28824 0.09222 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
I1 I 0.93046 0.32472 0.77597 1.00000
I2 I 0.67528 0.22403 0.06954 1.00000
I3 I 0.46307 0.16078 0.38554 1.00000
I4 I 0.83922 0.61446 0.53693 1.00000
I5 I 0.22403 0.06954 0.67528 1.00000
I6 I 0.61446 0.53693 0.83922 1.00000
I7 I 0.38554 0.46307 0.16078 1.00000
I8 I 0.77597 0.93046 0.32472 1.00000
I9 I 0.16078 0.38554 0.46307 1.00000
I10 I 0.53693 0.83922 0.61446 1.00000
I11 I 0.32472 0.77597 0.93046 1.00000
I12 I 0.06954 0.67528 0.22403 1.00000
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