Ac2DyH7
Alexandria ALEXAlex-ID: agm006209397 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
Ac4H9 AcH3 DyH2
2024-02-01 07:38:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209397).
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 agm006209397
data_agm006209397
_cell_length_a 5.93665
_cell_length_b 5.93646
_cell_length_c 7.49948
_cell_angle_alpha 113.19737
_cell_angle_beta 66.75167
_cell_angle_gamma 119.99873
_cell_volume 203.79244
_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
H1 H 0.10957 0.77778 0.14659 1.00000
H2 H 0.83681 0.93381 0.84703 1.00000
H3 H 0.39553 0.49251 0.84704 1.00000
H4 H 0.10950 0.21909 0.14662 1.00000
H5 H 0.47313 0.85543 0.49681 1.00000
H6 H 0.55097 0.21915 0.14662 1.00000
H7 H 0.83700 0.49235 0.84699 1.00000
Ac1 Ac 0.35595 0.97338 0.84883 1.00000
Ac2 Ac 0.59067 0.73811 0.14478 1.00000
Dy1 Dy 0.97326 0.35578 0.99685 1.00000
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