Sr3Ho6Sc
Alexandria ALEXAlex-ID: agm012725864 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_1009_spg1
Sr Ho Sc
2024-06-27 12:10:01.696919
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012725864).
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 agm012725864
data_agm012725864
_cell_length_a 6.29861
_cell_length_b 8.24029
_cell_length_c 9.70862
_cell_angle_alpha 132.40785
_cell_angle_beta 70.61406
_cell_angle_gamma 97.44429
_cell_volume 347.73557
_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
Sr1 Sr 0.39569 0.99683 0.20672 1.00000
Sr2 Sr 0.60431 0.00317 0.79328 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.82259 0.48596 0.88793 1.00000
Ho2 Ho 0.57703 0.52651 0.31375 1.00000
Ho3 Ho 0.17741 0.51404 0.11207 1.00000
Ho4 Ho 0.42297 0.47349 0.68625 1.00000
Ho5 Ho 0.79719 0.99960 0.40739 1.00000
Ho6 Ho 0.20281 0.00040 0.59261 1.00000
Sc1 Sc 0.00000 0.50000 0.50000 1.00000
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