CaLa2Fe2(TeO6)2
Alexandria ALEXAlex-ID: agm005279800 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E12_17_spg1
LaFeTeO6 LaFeO3 CaTeO3
2023-05-08 03:48:34.693236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005279800).
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 agm005279800
data_agm005279800
_cell_length_a 5.51162
_cell_length_b 5.57108
_cell_length_c 10.03542
_cell_angle_alpha 89.68756
_cell_angle_beta 90.00392
_cell_angle_gamma 59.57590
_cell_volume 265.70767
_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
Ca1 Ca 0.34412 0.32778 0.16856 1.00000
La1 La 0.00792 0.98703 0.46973 1.00000
La2 La 0.00536 0.00023 0.96644 1.00000
Fe1 Fe 0.67007 0.67321 0.72400 1.00000
Fe2 Fe 0.32341 0.33453 0.45824 1.00000
Te1 Te 0.32754 0.33646 0.73728 1.00000
Te2 Te 0.67156 0.66540 0.23186 1.00000
O1 O 0.32654 0.04768 0.61725 1.00000
O2 O 0.60356 0.32735 0.60518 1.00000
O3 O 0.03044 0.61989 0.61319 1.00000
O4 O 0.72729 0.35738 0.12294 1.00000
O5 O 0.93135 0.71745 0.12406 1.00000
O6 O 0.36042 0.92448 0.12260 1.00000
O7 O 0.62370 0.98143 0.34406 1.00000
O8 O 0.40221 0.61572 0.34417 1.00000
O9 O 0.99439 0.39011 0.34572 1.00000
O10 O 0.36509 0.61759 0.83048 1.00000
O11 O 0.00748 0.38135 0.83753 1.00000
O12 O 0.60256 0.03243 0.84297 1.00000
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