Be5C4
Alexandria ALEXAlex-ID: agm005504029 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_4_spg139
Be2C C
2023-03-19 11:55:45.938344
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504029).
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 agm005504029
data_agm005504029
_cell_length_a 5.08014
_cell_length_b 5.08014
_cell_length_c 5.08014
_cell_angle_alpha 95.08125
_cell_angle_beta 95.08125
_cell_angle_gamma 145.37245
_cell_volume 71.12479
_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 0.00000 0.00000 0.00000 1.00000
Be2 Be 0.66969 0.33031 0.00000 1.00000
Be3 Be 0.33031 0.66969 0.00000 1.00000
Be4 Be 0.33031 0.33031 0.66062 1.00000
Be5 Be 0.66969 0.66969 0.33938 1.00000
C1 C 0.75398 0.00000 0.75398 1.00000
C2 C 0.24602 0.00000 0.24602 1.00000
C3 C 0.00000 0.24602 0.24602 1.00000
C4 C 0.00000 0.75398 0.75398 1.00000
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