RbAlFe3(GeO4)3
Alexandria ALEXAlex-ID: agm010390076 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D3E12_37_spg1
Rb2Al2Ge3O10 Fe3(GeO4)2 Fe2GeO4 Fe2O3
2024-04-22 23:02:55.954776
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010390076).
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 agm010390076
data_agm010390076
_cell_length_a 5.39334
_cell_length_b 5.37562
_cell_length_c 11.32425
_cell_angle_alpha 94.20434
_cell_angle_beta 94.04371
_cell_angle_gamma 120.09940
_cell_volume 281.08469
_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 0.49798 0.50780 0.00998 1.00000
Al1 Al 0.00992 0.00212 0.49453 1.00000
Fe1 Fe 0.65397 0.33688 0.49673 1.00000
Fe2 Fe 0.34203 0.64633 0.49616 1.00000
Fe3 Fe 0.90221 0.24133 0.24367 1.00000
Ge1 Ge 0.23793 0.91064 0.23729 1.00000
Ge2 Ge 0.08831 0.76455 0.75315 1.00000
Ge3 Ge 0.75559 0.09663 0.75280 1.00000
O1 O 0.94086 0.93315 0.18042 1.00000
O2 O 0.02044 0.02961 0.81977 1.00000
O3 O 0.18428 0.57080 0.18610 1.00000
O4 O 0.54175 0.17174 0.17968 1.00000
O5 O 0.86139 0.44984 0.81865 1.00000
O6 O 0.44079 0.86771 0.81717 1.00000
O7 O 0.95058 0.27806 0.41530 1.00000
O8 O 0.29068 0.96982 0.40156 1.00000
O9 O 0.03378 0.70915 0.59652 1.00000
O10 O 0.71593 0.04156 0.59597 1.00000
O11 O 0.68138 0.65386 0.42396 1.00000
O12 O 0.35021 0.31842 0.58061 1.00000
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