Be3C2
Alexandria ALEXAlex-ID: agm005508145 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_71_spg43
Be2C C
2023-03-19 16:47:49.107398
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508145).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005508145
data_agm005508145
_cell_length_a 5.03892
_cell_length_b 4.99020
_cell_length_c 4.46922
_cell_angle_alpha 64.09718
_cell_angle_beta 62.97899
_cell_angle_gamma 52.92383
_cell_volume 77.74541
_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 0.37576 0.35195 0.64210 1.00000
Be2 Be 0.63018 0.64210 0.35195 1.00000
Be3 Be 0.89805 0.87424 0.61982 1.00000
Be4 Be 0.60790 0.61982 0.87424 1.00000
Be5 Be 0.96405 0.03595 0.03595 1.00000
Be6 Be 0.21405 0.28595 0.28595 1.00000
C1 C 0.26485 0.70652 0.26347 1.00000
C2 C 0.76516 0.26347 0.70652 1.00000
C3 C 0.54348 0.98515 0.48484 1.00000
C4 C 0.98653 0.48484 0.98515 1.00000
Get direct link