ScH7C2
Alexandria ALEXAlex-ID: agm006201291 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_762_spg2
H4C ScH2 C
2023-10-27 17:07:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201291).
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 agm006201291
data_agm006201291
_cell_length_a 9.81351
_cell_length_b 12.18189
_cell_length_c 3.79853
_cell_angle_alpha 113.29992
_cell_angle_beta 70.05156
_cell_angle_gamma 165.00672
_cell_volume 106.28748
_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 0.14595 0.45299 0.99876 1.00000
H1 H 0.04358 0.78374 0.10346 1.00000
H2 H 0.67076 0.70580 0.95922 1.00000
H3 H 0.83541 0.85990 0.85453 1.00000
H4 H 0.99150 0.16289 0.42510 1.00000
H5 H 0.09891 0.56776 0.60149 1.00000
H6 H 0.86923 0.69199 0.22597 1.00000
H7 H 0.27136 0.81611 0.43729 1.00000
C1 C 0.42503 0.86460 0.52623 1.00000
C2 C 0.88066 0.15162 0.33612 1.00000
Get direct link