SrEr2O6
Alexandria ALEXAlex-ID: agm097935264 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3577_spg10
SrO3 Er2O3
2025-04-07 05:41:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097935264).
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 agm097935264
data_agm097935264
_cell_length_a 4.40862
_cell_length_b 4.30725
_cell_length_c 7.51077
_cell_angle_alpha 79.74018
_cell_angle_beta 74.86623
_cell_angle_gamma 89.96431
_cell_volume 135.31654
_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 0.00831 0.65139 0.73221 1.00000
Er1 Er 0.39624 0.06461 0.97397 1.00000
Er2 Er 0.74725 0.07030 0.30986 1.00000
O1 O 0.44092 0.59469 0.88692 1.00000
O2 O 0.46874 0.39175 0.50968 1.00000
O3 O 0.88586 0.09634 0.99622 1.00000
O4 O 0.26102 0.99956 0.27791 1.00000
O5 O 0.50269 0.08672 0.63502 1.00000
O6 O 0.78898 0.54463 0.42820 1.00000
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