SrHo6
Alexandria ALEXAlex-ID: agm011996397 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_390_spg2
Ho Sr
2024-06-27 19:05:10.410722
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011996397).
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 agm011996397
data_agm011996397
_cell_length_a 6.22576
_cell_length_b 7.24226
_cell_length_c 11.34955
_cell_angle_alpha 71.27610
_cell_angle_beta 79.75863
_cell_angle_gamma 73.17868
_cell_volume 461.87624
_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 0.64109 0.85946 0.20893 1.00000
Sr2 Sr 0.35891 0.14054 0.79107 1.00000
Ho1 Ho 0.06704 0.93070 0.36371 1.00000
Ho2 Ho 0.78668 0.23033 0.92880 1.00000
Ho3 Ho 0.80346 0.70081 0.92103 1.00000
Ho4 Ho 0.93296 0.06930 0.63629 1.00000
Ho5 Ho 0.08546 0.41867 0.36286 1.00000
Ho6 Ho 0.35538 0.64116 0.78575 1.00000
Ho7 Ho 0.19654 0.29919 0.07897 1.00000
Ho8 Ho 0.50000 0.50000 0.50000 1.00000
Ho9 Ho 0.50000 0.00000 0.50000 1.00000
Ho10 Ho 0.21332 0.76967 0.07120 1.00000
Ho11 Ho 0.64462 0.35884 0.21425 1.00000
Ho12 Ho 0.91454 0.58133 0.63714 1.00000
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