Sc7Sn2H
Alexandria ALEXAlex-ID: agm007198348 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_266_spg139
Sc5Sn3 Sc ScH2
2024-03-26 13:57:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007198348).
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
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# CIF generated by HEAS from Alexandria entry agm007198348
data_agm007198348
_cell_length_a 6.06694
_cell_length_b 5.99223
_cell_length_c 7.02561
_cell_angle_alpha 92.31159
_cell_angle_beta 99.11825
_cell_angle_gamma 119.54526
_cell_volume 217.29583
_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 0.65097 0.82937 0.66789 1.00000
Sc2 Sc 0.18868 0.85904 0.81152 1.00000
Sc3 Sc 0.24539 0.37936 0.91261 1.00000
Sc4 Sc 0.83127 0.68553 0.18513 1.00000
Sc5 Sc 0.73601 0.12050 0.09302 1.00000
Sc6 Sc 0.38283 0.21768 0.36110 1.00000
Sc7 Sc 0.99461 0.35898 0.49666 1.00000
Sn1 Sn 0.67816 0.36239 0.76464 1.00000
Sn2 Sn 0.34492 0.70641 0.26704 1.00000
H1 H 0.94718 0.98075 0.94041 1.00000
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