ScNbGe2
Alexandria ALEXAlex-ID: agm005688461 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7718_spg13
Sc2Nb3Ge4 ScGe2
2023-07-13 11:09:02.263567
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688461).
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 agm005688461
data_agm005688461
_cell_length_a 5.34958
_cell_length_b 5.35901
_cell_length_c 10.29434
_cell_angle_alpha 90.00000
_cell_angle_beta 105.07672
_cell_angle_gamma 90.00000
_cell_volume 284.96392
_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 0.94160 0.62870 0.64065 1.00000
Sc2 Sc 0.05840 0.37130 0.35935 1.00000
Sc3 Sc 0.55840 0.62870 0.85935 1.00000
Sc4 Sc 0.44160 0.37130 0.14065 1.00000
Nb1 Nb 0.55972 0.87058 0.36305 1.00000
Nb2 Nb 0.44028 0.12942 0.63695 1.00000
Nb3 Nb 0.94028 0.87058 0.13695 1.00000
Nb4 Nb 0.05972 0.12942 0.86305 1.00000
Ge1 Ge 0.91653 0.36937 0.08789 1.00000
Ge2 Ge 0.08347 0.63063 0.91211 1.00000
Ge3 Ge 0.58347 0.36937 0.41211 1.00000
Ge4 Ge 0.41653 0.63063 0.58789 1.00000
Ge5 Ge 0.57932 0.12797 0.90583 1.00000
Ge6 Ge 0.42068 0.87203 0.09417 1.00000
Ge7 Ge 0.92068 0.12797 0.59417 1.00000
Ge8 Ge 0.07932 0.87203 0.40583 1.00000
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