Sc4GeO
Alexandria ALEXAlex-ID: agm003755877 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1947_spg15
Sc5Ge3 Sc Sc2O3
2022-04-18 20:29:59.574136
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003755877).
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 agm003755877
data_agm003755877
_cell_length_a 5.07548
_cell_length_b 6.60937
_cell_length_c 7.34844
_cell_angle_alpha 105.86872
_cell_angle_beta 110.20915
_cell_angle_gamma 89.99514
_cell_volume 221.29741
_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 0.42058 0.07925 0.79140 1.00000
Sc2 Sc 0.62908 0.42079 0.20865 1.00000
Sc3 Sc 0.57942 0.92075 0.20860 1.00000
Sc4 Sc 0.37092 0.57921 0.79135 1.00000
Sc5 Sc 0.82321 0.79808 0.61664 1.00000
Sc6 Sc 0.20667 0.70196 0.38352 1.00000
Sc7 Sc 0.17679 0.20192 0.38336 1.00000
Sc8 Sc 0.79333 0.29804 0.61648 1.00000
Ge1 Ge 0.95748 0.74995 0.00006 1.00000
Ge2 Ge 0.04252 0.25005 0.99994 1.00000
O1 O 0.50000 0.00000 0.50000 1.00000
O2 O 0.00000 0.50000 0.50000 1.00000
Get direct link