Sc2ZnGe3
Alexandria ALEXAlex-ID: agm016644580 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2534_spg12
Sc3(Zn2Ge)2 ScGe2
2025-04-14 07:26:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016644580).
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 agm016644580
data_agm016644580
_cell_length_a 5.39871
_cell_length_b 5.54682
_cell_length_c 7.79470
_cell_angle_alpha 86.94311
_cell_angle_beta 71.42027
_cell_angle_gamma 85.84154
_cell_volume 220.55697
_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 0.74614 0.24137 0.41481 1.00000
Sc2 Sc 0.24670 0.24108 0.91589 1.00000
Sc3 Sc 0.75330 0.75892 0.08411 1.00000
Sc4 Sc 0.25386 0.75863 0.58519 1.00000
Zn1 Zn 0.25077 0.50035 0.25060 1.00000
Zn2 Zn 0.74923 0.49965 0.74940 1.00000
Ge1 Ge 0.74933 0.99913 0.74925 1.00000
Ge2 Ge 0.25067 0.00087 0.25075 1.00000
Ge3 Ge 0.30078 0.73670 0.93489 1.00000
Ge4 Ge 0.19831 0.26306 0.56636 1.00000
Ge5 Ge 0.80169 0.73694 0.43364 1.00000
Ge6 Ge 0.69922 0.26330 0.06511 1.00000
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