Ba2CdFe(GeO3)4
Alexandria ALEXAlex-ID: agm011237277 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E12_5_spg5
BaGe4O9 Ba2FeGe2O7 Cd2GeO4 Fe2GeO4
2024-04-08 01:47:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011237277).
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 agm011237277
data_agm011237277
_cell_length_a 7.33184
_cell_length_b 7.33184
_cell_length_c 5.66014
_cell_angle_alpha 79.33328
_cell_angle_beta 79.33328
_cell_angle_gamma 86.30315
_cell_volume 293.69701
_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
Ba1 Ba 0.69199 0.30801 0.00000 1.00000
Ba2 Ba 0.30874 0.69126 0.50000 1.00000
Cd1 Cd 0.09587 0.90413 0.00000 1.00000
Fe1 Fe 0.90268 0.09732 0.50000 1.00000
Ge1 Ge 0.63214 0.81417 0.94322 1.00000
Ge2 Ge 0.18583 0.36786 0.05678 1.00000
Ge3 Ge 0.37299 0.18647 0.54954 1.00000
Ge4 Ge 0.81353 0.62701 0.45046 1.00000
O1 O 0.40898 0.89734 0.03621 1.00000
O2 O 0.10266 0.59102 0.96379 1.00000
O3 O 0.60077 0.10964 0.46558 1.00000
O4 O 0.89036 0.39923 0.53442 1.00000
O5 O 0.81033 0.97429 0.86323 1.00000
O6 O 0.02571 0.18967 0.13677 1.00000
O7 O 0.19013 0.03399 0.60156 1.00000
O8 O 0.96601 0.80987 0.39844 1.00000
O9 O 0.63436 0.66496 0.71857 1.00000
O10 O 0.33504 0.36564 0.28143 1.00000
O11 O 0.35954 0.32755 0.78654 1.00000
O12 O 0.67245 0.64046 0.21346 1.00000
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