Y12ScC7
Alexandria ALEXAlex-ID: agm005805293 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_30_spg148
Y4C5 Sc4C3 Y2C
2023-07-15 14:24:57.471535
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805293).
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 agm005805293
data_agm005805293
_cell_length_a 8.09245
_cell_length_b 8.09245
_cell_length_c 8.09245
_cell_angle_alpha 107.68142
_cell_angle_beta 107.68142
_cell_angle_gamma 107.68143
_cell_volume 432.88711
_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
Y1 Y 0.92911 0.30762 0.78642 1.00000
Y2 Y 0.69238 0.21358 0.07089 1.00000
Y3 Y 0.43997 0.15696 0.37141 1.00000
Y4 Y 0.84304 0.62859 0.56003 1.00000
Y5 Y 0.21358 0.07089 0.69238 1.00000
Y6 Y 0.62859 0.56003 0.84304 1.00000
Y7 Y 0.37141 0.43997 0.15696 1.00000
Y8 Y 0.78642 0.92911 0.30762 1.00000
Y9 Y 0.15696 0.37141 0.43997 1.00000
Y10 Y 0.56003 0.84304 0.62859 1.00000
Y11 Y 0.30762 0.78642 0.92911 1.00000
Y12 Y 0.07089 0.69238 0.21358 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
C1 C 0.96217 0.65284 0.88692 1.00000
C2 C 0.34716 0.11308 0.03783 1.00000
C3 C 0.11308 0.03783 0.34716 1.00000
C4 C 0.50000 0.50000 0.50000 1.00000
C5 C 0.88692 0.96217 0.65284 1.00000
C6 C 0.65284 0.88692 0.96217 1.00000
C7 C 0.03783 0.34716 0.11308 1.00000
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