Ac2Be2H5
Alexandria ALEXAlex-ID: agm007051670 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_536_spg2
Ac4H9 AcH3 AcBe13
2024-01-03 07:39:27.062213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007051670).
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 agm007051670
data_agm007051670
_cell_length_a 4.72044
_cell_length_b 4.32612
_cell_length_c 6.35943
_cell_angle_alpha 91.30465
_cell_angle_beta 110.66574
_cell_angle_gamma 91.33689
_cell_volume 121.41110
_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
Be1 Be 0.93529 0.29338 0.85798 1.00000
Be2 Be 0.06471 0.70662 0.14202 1.00000
Ac1 Ac 0.34954 0.74928 0.70407 1.00000
Ac2 Ac 0.65046 0.25072 0.29593 1.00000
H1 H 0.22080 0.50339 0.00073 1.00000
H2 H 0.77920 0.49661 0.99927 1.00000
H3 H 0.07390 0.24085 0.66673 1.00000
H4 H 0.92610 0.75915 0.33327 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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