Sr3Ho4O9
Alexandria ALEXAlex-ID: agm008317062 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C9_1_spg1
Ho2O3 SrO
2024-05-15 06:37:13.959460
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008317062).
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 agm008317062
data_agm008317062
_cell_length_a 9.12123
_cell_length_b 9.12123
_cell_length_c 9.12123
_cell_angle_alpha 38.18454
_cell_angle_beta 38.18454
_cell_angle_gamma 38.18454
_cell_volume 260.41466
_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 0.99493 0.99493 0.99493 1.00000
Sr2 Sr 0.82000 0.82000 0.82000 1.00000
Sr3 Sr 0.42432 0.42432 0.42432 1.00000
Ho1 Ho 0.56314 0.56314 0.56314 1.00000
Ho2 Ho 0.12441 0.12441 0.12441 1.00000
Ho3 Ho 0.25190 0.25190 0.25190 1.00000
Ho4 Ho 0.68850 0.68850 0.68850 1.00000
O1 O 0.57351 0.94004 0.36681 1.00000
O2 O 0.36681 0.57351 0.94004 1.00000
O3 O 0.94004 0.36681 0.57351 1.00000
O4 O 0.43229 0.85621 0.25432 1.00000
O5 O 0.25432 0.43229 0.85621 1.00000
O6 O 0.85621 0.25432 0.43229 1.00000
O7 O 0.99895 0.81169 0.40949 1.00000
O8 O 0.81169 0.40949 0.99895 1.00000
O9 O 0.40949 0.99895 0.81169 1.00000
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