Ac3OsICl
Alexandria ALEXAlex-ID: agm005037643 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_375_spg11
Ac4Os Ac6Os2I3 Ac2Os2I AcCl3
2022-07-05 15:02:36.566505
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005037643).
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 agm005037643
data_agm005037643
_cell_length_a 4.40929
_cell_length_b 10.17727
_cell_length_c 10.38364
_cell_angle_alpha 95.26501
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 463.99555
_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 0.75000 0.82066 0.14534 1.00000
Ac2 Ac 0.25000 0.17934 0.85466 1.00000
Ac3 Ac 0.25000 0.66196 0.42563 1.00000
Ac4 Ac 0.75000 0.33804 0.57437 1.00000
Ac5 Ac 0.75000 0.42595 0.14414 1.00000
Ac6 Ac 0.25000 0.57405 0.85586 1.00000
Os1 Os 0.25000 0.62636 0.15285 1.00000
Os2 Os 0.75000 0.37364 0.84715 1.00000
I1 I 0.25000 0.11438 0.17525 1.00000
I2 I 0.75000 0.88562 0.82475 1.00000
Cl1 Cl 0.25000 0.13310 0.56564 1.00000
Cl2 Cl 0.75000 0.86690 0.43436 1.00000
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