FeNi(GeO3)2
Alexandria ALEXAlex-ID: agm015213428 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_307_spg15
FeNi(GeO3)2
2024-12-05 23:52:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015213428).
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 agm015213428
data_agm015213428
_cell_length_a 6.70672
_cell_length_b 6.70672
_cell_length_c 5.25261
_cell_angle_alpha 80.82758
_cell_angle_beta 99.17242
_cell_angle_gamma 94.27441
_cell_volume 229.96687
_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
Fe1 Fe 0.73048 0.73048 0.75000 1.00000
Fe2 Fe 0.26952 0.26952 0.25000 1.00000
Ni1 Ni 0.90846 0.90846 0.25000 1.00000
Ni2 Ni 0.09154 0.09154 0.75000 1.00000
Ge1 Ge 0.39238 0.79457 0.21041 1.00000
Ge2 Ge 0.79457 0.39238 0.28959 1.00000
Ge3 Ge 0.20543 0.60762 0.71041 1.00000
Ge4 Ge 0.60762 0.20543 0.78959 1.00000
O1 O 0.42579 0.70624 0.91133 1.00000
O2 O 0.70624 0.42579 0.58867 1.00000
O3 O 0.57421 0.29376 0.08867 1.00000
O4 O 0.29376 0.57421 0.41133 1.00000
O5 O 0.62613 0.86350 0.37649 1.00000
O6 O 0.86350 0.62613 0.12351 1.00000
O7 O 0.37387 0.13650 0.62351 1.00000
O8 O 0.13650 0.37387 0.87649 1.00000
O9 O 0.02828 0.79828 0.63086 1.00000
O10 O 0.79828 0.02828 0.86914 1.00000
O11 O 0.20172 0.97172 0.13086 1.00000
O12 O 0.97172 0.20172 0.36914 1.00000
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