Ac2Be2H5
Alexandria ALEXAlex-ID: agm007185192 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_238_spg12
Ac4H9 AcH3 AcBe13
2024-01-03 09:25:39.174852
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007185192).
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 agm007185192
data_agm007185192
_cell_length_a 4.17808
_cell_length_b 7.36866
_cell_length_c 4.52479
_cell_angle_alpha 109.13306
_cell_angle_beta 95.26270
_cell_angle_gamma 84.89670
_cell_volume 130.79700
_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 0.24643 0.55121 0.56181 1.00000
Be2 Be 0.75357 0.44879 0.43819 1.00000
Ac1 Ac 0.26640 0.23700 0.88507 1.00000
Ac2 Ac 0.73360 0.76300 0.11493 1.00000
H1 H 0.24772 0.58441 0.90727 1.00000
H2 H 0.75228 0.41559 0.09273 1.00000
H3 H 0.09398 0.35593 0.44911 1.00000
H4 H 0.90602 0.64406 0.55089 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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