Y3CoI3
Alexandria ALEXAlex-ID: agm045672804 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_108_spg11
Y3Co Y12Co2I17 Y2Co2I
2024-12-05 02:58:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045672804).
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 agm045672804
data_agm045672804
_cell_length_a 4.13413
_cell_length_b 8.90376
_cell_length_c 12.26751
_cell_angle_alpha 93.42830
_cell_angle_beta 90.00004
_cell_angle_gamma 89.99544
_cell_volume 450.74970
_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 0.25008 0.74449 0.39886 1.00000
Y2 Y 0.74992 0.25551 0.60114 1.00000
Y3 Y 0.25002 0.13080 0.37574 1.00000
Y4 Y 0.74998 0.86920 0.62426 1.00000
Y5 Y 0.24987 0.09633 0.81297 1.00000
Y6 Y 0.75013 0.90367 0.18703 1.00000
Co1 Co 0.24988 0.05436 0.59204 1.00000
Co2 Co 0.75012 0.94564 0.40796 1.00000
I1 I 0.24995 0.57983 0.63255 1.00000
I2 I 0.75005 0.42017 0.36745 1.00000
I3 I 0.25002 0.14466 0.10874 1.00000
I4 I 0.74998 0.85534 0.89126 1.00000
I5 I 0.25018 0.64644 0.13955 1.00000
I6 I 0.74982 0.35356 0.86045 1.00000
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