Ac2Cd2Os
Alexandria ALEXAlex-ID: agm047357591 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_150_spg11
AcCd Os
2024-11-07 02:23:52.216240
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047357591).
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 agm047357591
data_agm047357591
_cell_length_a 4.51561
_cell_length_b 8.52477
_cell_length_c 8.61576
_cell_angle_alpha 66.35908
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 303.82558
_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 0.35272 0.89002 1.00000
Ac2 Ac 0.75000 0.96143 0.70402 1.00000
Ac3 Ac 0.25000 0.64728 0.10998 1.00000
Ac4 Ac 0.25000 0.03857 0.29598 1.00000
Cd1 Cd 0.25000 0.32586 0.58311 1.00000
Cd2 Cd 0.75000 0.67414 0.41689 1.00000
Cd3 Cd 0.25000 0.66293 0.65816 1.00000
Cd4 Cd 0.75000 0.33707 0.34184 1.00000
Os1 Os 0.25000 0.04477 0.94317 1.00000
Os2 Os 0.75000 0.95523 0.05683 1.00000
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