Rb2ErGaO4
Alexandria ALEXAlex-ID: agm004764232 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_370_spg70
RbErO2 RbGaO2
2022-07-18 20:37:35.130626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004764232).
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 agm004764232
data_agm004764232
_cell_length_a 5.50857
_cell_length_b 6.91456
_cell_length_c 11.50012
_cell_angle_alpha 84.52562
_cell_angle_beta 76.14292
_cell_angle_gamma 66.52609
_cell_volume 390.08807
_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
Rb1 Rb 0.18383 0.00000 0.63234 1.00000
Rb2 Rb 0.81617 0.00000 0.36766 1.00000
Rb3 Rb 0.56617 0.50000 0.86766 1.00000
Rb4 Rb 0.93383 0.50000 0.13234 1.00000
Er1 Er 0.75000 0.50000 0.50000 1.00000
Er2 Er 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.25000 0.50000 0.50000 1.00000
Ga2 Ga 0.50000 0.00000 0.00000 1.00000
O1 O 0.32476 0.82255 0.08353 1.00000
O2 O 0.23084 0.17745 0.91647 1.00000
O3 O 0.85269 0.82255 0.91647 1.00000
O4 O 0.59171 0.17745 0.08353 1.00000
O5 O 0.42524 0.67745 0.41647 1.00000
O6 O 0.51916 0.32255 0.58353 1.00000
O7 O 0.89731 0.67745 0.58353 1.00000
O8 O 0.15829 0.32255 0.41647 1.00000
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