Y6Sc8H
Alexandria ALEXAlex-ID: agm072863590 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_724_spg2
Y Sc YH2
2024-10-06 12:43:48.224654
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072863590).
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 agm072863590
data_agm072863590
_cell_length_a 5.85707
_cell_length_b 7.58666
_cell_length_c 8.98783
_cell_angle_alpha 85.03957
_cell_angle_beta 77.51697
_cell_angle_gamma 82.66796
_cell_volume 386.03438
_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 0.54527 0.42791 0.17316 1.00000
Y2 Y 0.39452 0.71560 0.45883 1.00000
Y3 Y 0.82140 0.85358 0.61166 1.00000
Y4 Y 0.45473 0.57209 0.82684 1.00000
Y5 Y 0.60548 0.28440 0.54117 1.00000
Y6 Y 0.17860 0.14642 0.38834 1.00000
Sc1 Sc 0.76118 0.99613 0.23949 1.00000
Sc2 Sc 0.23882 0.00387 0.76051 1.00000
Sc3 Sc 0.68004 0.13486 0.89903 1.00000
Sc4 Sc 0.97054 0.57682 0.31286 1.00000
Sc5 Sc 0.10259 0.27951 0.03100 1.00000
Sc6 Sc 0.31996 0.86514 0.10097 1.00000
Sc7 Sc 0.02946 0.42318 0.68714 1.00000
Sc8 Sc 0.89741 0.72049 0.96900 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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