Sr2ErHfO6
Alexandria ALEXAlex-ID: agm005505430 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_468_spg2
SrEr2O4 Sr3O5 SrHfO3 Er2O3
2023-03-20 12:15:34.866068
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505430).
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 agm005505430
data_agm005505430
_cell_length_a 5.92758
_cell_length_b 5.92758
_cell_length_c 5.95403
_cell_angle_alpha 60.26441
_cell_angle_beta 60.26441
_cell_angle_gamma 60.39671
_cell_volume 148.96034
_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 0.75162 0.75162 0.73138 1.00000
Sr2 Sr 0.24838 0.24838 0.26862 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.50000 0.50000 0.50000 1.00000
O1 O 0.30999 0.79652 0.68728 1.00000
O2 O 0.74003 0.74003 0.16534 1.00000
O3 O 0.79652 0.30999 0.68728 1.00000
O4 O 0.25997 0.25997 0.83466 1.00000
O5 O 0.20348 0.69001 0.31272 1.00000
O6 O 0.69001 0.20348 0.31272 1.00000
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