RbVI4
Alexandria ALEXAlex-ID: agm005793031 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3761_spg14
VI3 RbI
2023-08-01 00:52:15.126288
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005793031).
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 agm005793031
data_agm005793031
_cell_length_a 7.40953
_cell_length_b 11.84144
_cell_length_c 14.69349
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 94.38474
_cell_volume 1285.42616
_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 0.34356 0.24168 0.93432 1.00000
Rb2 Rb 0.15644 0.25832 0.43432 1.00000
Rb3 Rb 0.84356 0.74168 0.56568 1.00000
Rb4 Rb 0.65644 0.75832 0.06568 1.00000
V1 V 0.72176 0.22796 0.67520 1.00000
V2 V 0.77824 0.27204 0.17520 1.00000
V3 V 0.22176 0.72796 0.82480 1.00000
V4 V 0.27824 0.77204 0.32480 1.00000
I1 I 0.21555 0.93241 0.43814 1.00000
I2 I 0.82651 0.18255 0.83875 1.00000
I3 I 0.60951 0.08582 0.11740 1.00000
I4 I 0.37591 0.25228 0.67721 1.00000
I5 I 0.12409 0.24772 0.17721 1.00000
I6 I 0.89049 0.41418 0.61740 1.00000
I7 I 0.67349 0.31745 0.33875 1.00000
I8 I 0.71555 0.43241 0.06186 1.00000
I9 I 0.28445 0.56759 0.93814 1.00000
I10 I 0.32651 0.68255 0.66125 1.00000
I11 I 0.10951 0.58582 0.38260 1.00000
I12 I 0.87591 0.75228 0.82279 1.00000
I13 I 0.62409 0.74772 0.32279 1.00000
I14 I 0.39049 0.91418 0.88260 1.00000
I15 I 0.17349 0.81745 0.16125 1.00000
I16 I 0.78445 0.06759 0.56186 1.00000
