Ac6Cu2OsI3
Alexandria ALEXAlex-ID: agm044124537 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Ac3OsI3 Ac6Os2I3 Ac Ac2Cu2I
2024-11-01 17:47:17.033304
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044124537).
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
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# CIF generated by HEAS from Alexandria entry agm044124537
data_agm044124537
_cell_length_a 7.70542
_cell_length_b 7.70542
_cell_length_c 9.01913
_cell_angle_alpha 81.80683
_cell_angle_beta 81.80683
_cell_angle_gamma 119.96465
_cell_volume 444.69702
_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 0.61802 0.93741 0.18768 1.00000
Ac2 Ac 0.74335 0.74335 0.81197 1.00000
Ac3 Ac 0.38198 0.06259 0.81232 1.00000
Ac4 Ac 0.93741 0.61802 0.18768 1.00000
Ac5 Ac 0.25665 0.25665 0.18803 1.00000
Ac6 Ac 0.06259 0.38198 0.81232 1.00000
Cu1 Cu 0.66659 0.33341 0.00000 1.00000
Cu2 Cu 0.33341 0.66659 0.00000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
I1 I 0.83332 0.16668 0.50000 1.00000
I2 I 0.16668 0.83332 0.50000 1.00000
I3 I 0.50000 0.50000 0.50000 1.00000
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