Sc3SbH
Alexandria ALEXAlex-ID: agm003705754 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6146_spg11
Sc Sc2Sb ScH2
2022-04-16 00:31:32.367092
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705754).
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 agm003705754
data_agm003705754
_cell_length_a 4.24357
_cell_length_b 6.97236
_cell_length_c 6.92803
_cell_angle_alpha 111.92145
_cell_angle_beta 89.99995
_cell_angle_gamma 89.99994
_cell_volume 190.16327
_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 0.75001 0.57555 0.38943 1.00000
Sc2 Sc 0.24999 0.42445 0.61057 1.00000
Sc3 Sc 0.74999 0.31087 0.87110 1.00000
Sc4 Sc 0.25000 0.93907 0.65816 1.00000
Sc5 Sc 0.25001 0.68913 0.12890 1.00000
Sc6 Sc 0.75000 0.06093 0.34184 1.00000
Sb1 Sb 0.25000 0.24409 0.13622 1.00000
Sb2 Sb 0.75000 0.75591 0.86378 1.00000
H1 H 0.25001 0.64470 0.44680 1.00000
H2 H 0.74999 0.35530 0.55320 1.00000
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