SrScB
Alexandria ALEXAlex-ID: agm003039983 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1005_spg63
ScB2 Sr Sc
2015-04-24 10:35:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003039983).
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 agm003039983
data_agm003039983
_cell_length_a 3.26727
_cell_length_b 12.66991
_cell_length_c 3.51260
_cell_angle_alpha 97.93211
_cell_angle_beta 89.99968
_cell_angle_gamma 90.08701
_cell_volume 144.01611
_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
Sc1 Sc 0.54432 0.64585 0.66306 1.00000
Sc2 Sc 0.04561 0.86199 0.77044 1.00000
Sr1 Sr 0.54685 0.11170 0.39301 1.00000
Sr2 Sr 0.04184 0.39615 0.03934 1.00000
B1 B 0.04482 0.72621 0.20286 1.00000
B2 B 0.54514 0.78162 0.23064 1.00000
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