CsV2I3O13
Alexandria ALEXAlex-ID: agm005287927 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D13_12_spg46
CsV2I3O13
2024-10-13 18:13:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287927).
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 agm005287927
data_agm005287927
_cell_length_a 8.20229
_cell_length_b 9.74538
_cell_length_c 9.74538
_cell_angle_alpha 66.55316
_cell_angle_beta 65.11301
_cell_angle_gamma 65.11301
_cell_volume 617.52740
_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 0.62180 0.85898 0.64102 1.00000
Cs2 Cs 0.12180 0.14102 0.35898 1.00000
V1 V 0.75162 0.11110 0.14579 1.00000
V2 V 0.25162 0.64579 0.61110 1.00000
V3 V 0.00850 0.88891 0.85421 1.00000
V4 V 0.50850 0.35421 0.38890 1.00000
I1 I 0.11437 0.23601 0.75079 1.00000
I2 I 0.60118 0.74921 0.26399 1.00000
I3 I 0.61437 0.25079 0.73601 1.00000
I4 I 0.89755 0.52304 0.97696 1.00000
I5 I 0.39755 0.47696 0.02304 1.00000
I6 I 0.10118 0.76399 0.24921 1.00000
O1 O 0.44152 0.14814 0.81157 1.00000
O2 O 0.20951 0.73848 0.76152 1.00000
O3 O 0.90123 0.68843 0.35186 1.00000
O4 O 0.47187 0.72313 0.48199 1.00000
O5 O 0.68996 0.58055 0.91945 1.00000
O6 O 0.34040 0.50000 0.50000 1.00000
O7 O 0.59815 0.01943 0.28063 1.00000
O8 O 0.36927 0.47729 0.22571 1.00000
O9 O 0.97187 0.98199 0.22313 1.00000
O10 O 0.89821 0.98057 0.71937 1.00000
O11 O 0.94152 0.31157 0.64814 1.00000
O12 O 0.66354 0.54630 0.25436 1.00000
O13 O 0.96419 0.24564 0.95370 1.00000
O14 O 0.40123 0.85186 0.18843 1.00000
O15 O 0.18996 0.41945 0.08055 1.00000
O16 O 0.07226 0.52271 0.77429 1.00000
O17 O 0.16354 0.75436 0.04630 1.00000
O18 O 0.70951 0.26152 0.23848 1.00000
O19 O 0.17699 0.01801 0.77687 1.00000
O20 O 0.57226 0.27429 0.02271 1.00000
O21 O 0.09815 0.78063 0.51943 1.00000
O22 O 0.39821 0.21937 0.48057 1.00000
O23 O 0.67699 0.27687 0.51801 1.00000
O24 O 0.46419 0.45370 0.74564 1.00000
O25 O 0.86927 0.72571 0.97729 1.00000
O26 O 0.84040 0.00000 0.00000 1.00000
