RbZnI3
Alexandria ALEXAlex-ID: agm063077587 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1_spg62
Rb2ZnI4 ZnI2
2025-02-03 12:44:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063077587).
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 agm063077587
data_agm063077587
_cell_length_a 6.70378
_cell_length_b 9.62355
_cell_length_c 15.33424
_cell_angle_alpha 89.96246
_cell_angle_beta 89.92506
_cell_angle_gamma 89.96455
_cell_volume 989.27464
_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
Rb1 Rb 0.05170 0.20094 0.80628 1.00000
Rb2 Rb 0.55236 0.29910 0.19352 1.00000
Rb3 Rb 0.94810 0.79914 0.30633 1.00000
Rb4 Rb 0.44853 0.70139 0.69398 1.00000
Zn1 Zn 0.39830 0.11674 0.55428 1.00000
Zn2 Zn 0.10163 0.61660 0.94566 1.00000
Zn3 Zn 0.60131 0.88299 0.05447 1.00000
Zn4 Zn 0.89828 0.38331 0.44558 1.00000
I1 I 0.30694 0.39649 0.98199 1.00000
I2 I 0.67196 0.15343 0.42848 1.00000
I3 I 0.82785 0.65299 0.07148 1.00000
I4 I 0.19345 0.89670 0.51790 1.00000
I5 I 0.17136 0.34653 0.57130 1.00000
I6 I 0.80663 0.10286 0.01768 1.00000
I7 I 0.69299 0.60330 0.48228 1.00000
I8 I 0.32795 0.84666 0.92886 1.00000
I9 I 0.94345 0.59458 0.78932 1.00000
I10 I 0.44275 0.90579 0.21087 1.00000
I11 I 0.05730 0.40607 0.28925 1.00000
I12 I 0.55717 0.09438 0.71050 1.00000
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