AcIO4
Alexandria ALEXAlex-ID: agm005754643 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3310_spg14
AcIO4
2023-07-30 23:02:03.177257
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754643).
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 agm005754643
data_agm005754643
_cell_length_a 6.44656
_cell_length_b 8.47226
_cell_length_c 6.88363
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 84.71559
_cell_volume 374.36473
_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
Ac1 Ac 0.24193 0.13618 0.90205 1.00000
Ac2 Ac 0.25807 0.36382 0.40205 1.00000
Ac3 Ac 0.74193 0.63618 0.59795 1.00000
Ac4 Ac 0.75807 0.86382 0.09795 1.00000
I1 I 0.81511 0.15859 0.57774 1.00000
I2 I 0.68489 0.34141 0.07774 1.00000
I3 I 0.31511 0.65859 0.92226 1.00000
I4 I 0.18489 0.84141 0.42226 1.00000
O1 O 0.14909 0.10362 0.53809 1.00000
O2 O 0.86417 0.06775 0.82374 1.00000
O3 O 0.57179 0.14408 0.15965 1.00000
O4 O 0.52995 0.21810 0.65918 1.00000
O5 O 0.97005 0.28190 0.15918 1.00000
O6 O 0.92821 0.35592 0.65965 1.00000
O7 O 0.63583 0.43224 0.32374 1.00000
O8 O 0.64909 0.60362 0.96191 1.00000
O9 O 0.35091 0.39638 0.03809 1.00000
O10 O 0.36417 0.56776 0.67626 1.00000
O11 O 0.07179 0.64408 0.34035 1.00000
O12 O 0.02995 0.71810 0.84082 1.00000
O13 O 0.47005 0.78190 0.34082 1.00000
O14 O 0.42821 0.85592 0.84035 1.00000
O15 O 0.13583 0.93224 0.17626 1.00000
O16 O 0.85091 0.89638 0.46191 1.00000
