Ca2Tb2Mn3FeO12
Alexandria ALEXAlex-ID: agm010795239 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
Ca2Mn3O8 Ca6MnO8 TbMnO3 Ca(FeO2)2 Tb2O3
2024-07-22 17:19:55.134606
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010795239).
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 agm010795239
data_agm010795239
_cell_length_a 5.36370
_cell_length_b 5.55589
_cell_length_c 7.54070
_cell_angle_alpha 90.01044
_cell_angle_beta 90.04251
_cell_angle_gamma 89.93495
_cell_volume 224.71365
_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 0.48970 0.44827 0.24703 1.00000
Ca2 Ca 0.98787 0.05417 0.75282 1.00000
Tb1 Tb 0.01663 0.93560 0.24644 1.00000
Tb2 Tb 0.51673 0.56188 0.75323 1.00000
Mn1 Mn 0.50055 0.00390 0.49998 1.00000
Mn2 Mn 0.00146 0.49579 0.50012 1.00000
Mn3 Mn 0.49968 0.00421 0.99991 1.00000
Fe1 Fe 0.00148 0.49474 0.00006 1.00000
O1 O 0.20216 0.19176 0.04820 1.00000
O2 O 0.29291 0.71110 0.45245 1.00000
O3 O 0.79079 0.79004 0.54812 1.00000
O4 O 0.68752 0.29474 0.95224 1.00000
O5 O 0.78704 0.79848 0.95500 1.00000
O6 O 0.69765 0.29939 0.54956 1.00000
O7 O 0.19893 0.19852 0.44990 1.00000
O8 O 0.30069 0.71730 0.04508 1.00000
O9 O 0.60050 0.02792 0.25111 1.00000
O10 O 0.91579 0.53086 0.25298 1.00000
O11 O 0.41162 0.96817 0.74887 1.00000
O12 O 0.10032 0.47317 0.74690 1.00000
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