Sc3GaO
Alexandria ALEXAlex-ID: agm003131237 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_993_spg47
Sc3GaO
2016-03-11 02:08:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003131237).
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 agm003131237
data_agm003131237
_cell_length_a 6.93965
_cell_length_b 5.38234
_cell_length_c 5.38222
_cell_angle_alpha 104.15434
_cell_angle_beta 107.15782
_cell_angle_gamma 107.15913
_cell_volume 171.00532
_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 0.74846 0.60788 0.28571 1.00000
Sc2 Sc 0.00059 0.73478 0.91264 1.00000
Sc3 Sc 0.49631 0.48095 0.65881 1.00000
Sc4 Sc 0.49640 0.98098 0.15887 1.00000
Sc5 Sc 0.74846 0.10787 0.78570 1.00000
Sc6 Sc 0.00051 0.23476 0.41257 1.00000
Ga1 Ga 0.24856 0.35806 0.03598 1.00000
Ga2 Ga 0.24840 0.85802 0.53585 1.00000
O1 O 0.74845 0.85781 0.03563 1.00000
O2 O 0.74847 0.35795 0.53578 1.00000
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