Y10Ni2I15
Alexandria ALEXAlex-ID: agm007862012 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B10C15_0_spg2
Y3Ni2 Y3Ni Y6NiI10
2024-08-25 00:04:13.714612
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007862012).
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 agm007862012
data_agm007862012
_cell_length_a 9.75039
_cell_length_b 10.65409
_cell_length_c 11.49833
_cell_angle_alpha 91.60677
_cell_angle_beta 114.43335
_cell_angle_gamma 110.76058
_cell_volume 995.25034
_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 0.21590 0.57269 0.04697 1.00000
Y2 Y 0.78410 0.42731 0.95303 1.00000
Y3 Y 0.28997 0.89503 0.26955 1.00000
Y4 Y 0.71003 0.10497 0.73045 1.00000
Y5 Y 0.08594 0.55061 0.32409 1.00000
Y6 Y 0.91406 0.44939 0.67591 1.00000
Y7 Y 0.83644 0.74799 0.17677 1.00000
Y8 Y 0.16356 0.25201 0.82323 1.00000
Y9 Y 0.97609 0.79234 0.91243 1.00000
Y10 Y 0.02391 0.20766 0.08757 1.00000
Ni1 Ni 0.03161 0.67263 0.11884 1.00000
Ni2 Ni 0.96839 0.32737 0.88116 1.00000
I1 I 0.33470 0.44160 0.30130 1.00000
I2 I 0.66530 0.55840 0.69870 1.00000
I3 I 0.20667 0.73784 0.81597 1.00000
I4 I 0.79333 0.26216 0.18403 1.00000
I5 I 0.14452 0.38890 0.58172 1.00000
I6 I 0.85548 0.61110 0.41828 1.00000
I7 I 0.39091 0.80621 0.53506 1.00000
I8 I 0.60909 0.19379 0.46494 1.00000
I9 I 0.26838 0.08893 0.05691 1.00000
I10 I 0.73162 0.91107 0.94309 1.00000
I11 I 0.55832 0.83626 0.22405 1.00000
I12 I 0.44168 0.16374 0.77595 1.00000
I13 I 0.09012 0.03977 0.33273 1.00000
I14 I 0.90988 0.96023 0.66727 1.00000
I15 I 0.50000 0.50000 0.00000 1.00000
