Y6NiI14
Alexandria ALEXAlex-ID: agm023078634 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C14_9_spg64
YNiI Y6NiI10 YI3
2024-11-17 09:56:05.672829
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm023078634).
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 agm023078634
data_agm023078634
_cell_length_a 11.58265
_cell_length_b 11.58265
_cell_length_c 13.86676
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 98.50280
_cell_volume 1839.88488
_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 0.45522 0.70320 0.12583 1.00000
Y2 Y 0.54478 0.29680 0.87417 1.00000
Y3 Y 0.04478 0.79680 0.62583 1.00000
Y4 Y 0.20320 0.95522 0.37417 1.00000
Y5 Y 0.95522 0.20320 0.37417 1.00000
Y6 Y 0.79680 0.04478 0.62583 1.00000
Y7 Y 0.29680 0.54478 0.87417 1.00000
Y8 Y 0.70320 0.45522 0.12583 1.00000
Y9 Y 0.85632 0.85632 0.39116 1.00000
Y10 Y 0.14368 0.14368 0.60884 1.00000
Y11 Y 0.64368 0.64368 0.89116 1.00000
Y12 Y 0.35632 0.35632 0.10884 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Ni2 Ni 0.00000 0.00000 0.50000 1.00000
I1 I 0.79783 0.03725 0.24852 1.00000
I2 I 0.20217 0.96275 0.75148 1.00000
I3 I 0.70217 0.46275 0.74852 1.00000
I4 I 0.53725 0.29783 0.25148 1.00000
I5 I 0.29783 0.53725 0.25148 1.00000
I6 I 0.46275 0.70217 0.74852 1.00000
I7 I 0.96275 0.20217 0.75148 1.00000
I8 I 0.03725 0.79783 0.24852 1.00000
I9 I 0.62316 0.86433 0.00370 1.00000
I10 I 0.37684 0.13567 0.99630 1.00000
I11 I 0.87684 0.63567 0.50370 1.00000
I12 I 0.36433 0.12316 0.49630 1.00000
I13 I 0.12316 0.36433 0.49630 1.00000
I14 I 0.63567 0.87684 0.50370 1.00000
I15 I 0.13567 0.37684 0.99630 1.00000
I16 I 0.86433 0.62316 0.00370 1.00000
I17 I 0.41290 0.91290 0.25000 1.00000
I18 I 0.58710 0.08710 0.75000 1.00000
I19 I 0.08710 0.58710 0.75000 1.00000
I20 I 0.91290 0.41290 0.25000 1.00000
I21 I 0.25288 0.74712 0.00000 1.00000
I22 I 0.74712 0.25288 0.00000 1.00000
I23 I 0.24712 0.75288 0.50000 1.00000
I24 I 0.75288 0.24712 0.50000 1.00000
I25 I 0.66596 0.66596 0.26154 1.00000
I26 I 0.33404 0.33404 0.73846 1.00000
I27 I 0.83404 0.83404 0.76154 1.00000
I28 I 0.16596 0.16596 0.23846 1.00000
