Sr2(HoSc3)3
Alexandria ALEXAlex-ID: agm012198261 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_401_spg1
Sr Ho Sc
2024-06-01 17:22:31.440359
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012198261).
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 agm012198261
data_agm012198261
_cell_length_a 5.99735
_cell_length_b 8.83402
_cell_length_c 8.85776
_cell_angle_alpha 110.66157
_cell_angle_beta 107.00259
_cell_angle_gamma 99.04378
_cell_volume 401.74331
_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 0.58894 0.72877 0.02860 1.00000
Sr2 Sr 0.40285 0.26037 0.90111 1.00000
Ho1 Ho 0.17977 0.96226 0.11046 1.00000
Ho2 Ho 0.41891 0.78765 0.39765 1.00000
Ho3 Ho 0.58223 0.21711 0.53196 1.00000
Sc1 Sc 0.99621 0.49333 0.96308 1.00000
Sc2 Sc 0.77381 0.17269 0.21219 1.00000
Sc3 Sc 0.23787 0.82576 0.71306 1.00000
Sc4 Sc 0.29097 0.38344 0.27671 1.00000
Sc5 Sc 0.71829 0.63012 0.66134 1.00000
Sc6 Sc 0.81140 0.03883 0.80585 1.00000
Sc7 Sc 0.99832 0.00038 0.46639 1.00000
Sc8 Sc 0.13369 0.42577 0.59536 1.00000
Sc9 Sc 0.86674 0.57352 0.33624 1.00000
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