Cs2Er6NiI12
Alexandria ALEXAlex-ID: agm020431817 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D12_20_spg14
Er6NiI10 Cs3Er2I9 Cs2Er10Ni2I17 Er
2025-02-17 05:50:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020431817).
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 agm020431817
data_agm020431817
_cell_length_a 9.65366
_cell_length_b 9.65636
_cell_length_c 19.98398
_cell_angle_alpha 89.65510
_cell_angle_beta 89.86033
_cell_angle_gamma 73.18169
_cell_volume 1783.17575
_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
Cs1 Cs 0.60055 0.10609 0.69238 1.00000
Cs2 Cs 0.39677 0.39241 0.19115 1.00000
Cs3 Cs 0.39945 0.89391 0.30762 1.00000
Cs4 Cs 0.60323 0.60759 0.80885 1.00000
Er1 Er 0.98592 0.24795 0.54306 1.00000
Er2 Er 0.02478 0.40803 0.37850 1.00000
Er3 Er 0.01408 0.75205 0.45694 1.00000
Er4 Er 0.71829 0.08793 0.01573 1.00000
Er5 Er 0.71828 0.58832 0.48425 1.00000
Er6 Er 0.02442 0.90535 0.12177 1.00000
Er7 Er 0.98600 0.74900 0.95714 1.00000
Er8 Er 0.97558 0.09465 0.87823 1.00000
Er9 Er 0.01400 0.25100 0.04286 1.00000
Er10 Er 0.28171 0.91207 0.98427 1.00000
Er11 Er 0.28172 0.41168 0.51575 1.00000
Er12 Er 0.97522 0.59197 0.62150 1.00000
Ni1 Ni 0.00000 0.50000 0.50000 1.00000
Ni2 Ni 0.00000 0.00000 0.00000 1.00000
I1 I 0.30957 0.60588 0.93570 1.00000
I2 I 0.93289 0.82180 0.80342 1.00000
I3 I 0.29423 0.00757 0.83451 1.00000
I4 I 0.06771 0.68239 0.30292 1.00000
I5 I 0.30938 0.10457 0.56468 1.00000
I6 I 0.35512 0.69278 0.47185 1.00000
I7 I 0.64488 0.30722 0.52815 1.00000
I8 I 0.98325 0.41683 0.90516 1.00000
I9 I 0.69062 0.89543 0.43532 1.00000
I10 I 0.35623 0.78146 0.12923 1.00000
I11 I 0.64352 0.71654 0.62921 1.00000
I12 I 0.70669 0.49545 0.33458 1.00000
I13 I 0.01765 0.08518 0.40543 1.00000
I14 I 0.64495 0.80778 0.97215 1.00000
I15 I 0.06711 0.17820 0.19658 1.00000
I16 I 0.93229 0.31761 0.69708 1.00000
I17 I 0.01675 0.58317 0.09484 1.00000
I18 I 0.98235 0.91482 0.59457 1.00000
I19 I 0.69043 0.39412 0.06430 1.00000
I20 I 0.35648 0.28346 0.37079 1.00000
I21 I 0.64377 0.21854 0.87077 1.00000
I22 I 0.70577 0.99243 0.16549 1.00000
I23 I 0.35505 0.19222 0.02785 1.00000
I24 I 0.29331 0.50455 0.66542 1.00000
