Sc5Be
Alexandria ALEXAlex-ID: agm003196342 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_26_spg12
ScBe5 Sc
2021-12-02 22:51:53.644925
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003196342).
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 agm003196342
data_agm003196342
_cell_length_a 5.80658
_cell_length_b 5.80658
_cell_length_c 7.76730
_cell_angle_alpha 67.87053
_cell_angle_beta 67.87053
_cell_angle_gamma 32.95824
_cell_volume 131.01917
_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 0.97196 0.97196 0.05573 1.00000
Sc1 Sc 0.30615 0.30615 0.34231 1.00000
Sc2 Sc 0.63827 0.63827 0.76897 1.00000
Sc3 Sc 0.60799 0.60799 0.18878 1.00000
Sc4 Sc 0.97242 0.97242 0.55544 1.00000
Sc5 Sc 0.33654 0.33654 0.92209 1.00000
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