SrCa7Nb3Fe5O24
Alexandria ALEXAlex-ID: agm011048848 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5D7E24_6_spg1
CaO8 Sr2NbFeO6 SrCa2Fe3O8 Ca2NbFeO6 Ca(FeO2)2
2025-02-27 20:06:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011048848).
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 agm011048848
data_agm011048848
_cell_length_a 7.85284
_cell_length_b 7.85284
_cell_length_c 7.84777
_cell_angle_alpha 89.73910
_cell_angle_beta 90.26090
_cell_angle_gamma 89.89597
_cell_volume 483.93825
_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
Sr1 Sr 0.25772 0.74228 0.73617 1.00000
Ca1 Ca 0.24796 0.26338 0.73071 1.00000
Ca2 Ca 0.24852 0.75148 0.27390 1.00000
Ca3 Ca 0.26679 0.25579 0.27070 1.00000
Ca4 Ca 0.73662 0.75204 0.73071 1.00000
Ca5 Ca 0.75108 0.24892 0.72342 1.00000
Ca6 Ca 0.74421 0.73321 0.27070 1.00000
Ca7 Ca 0.73588 0.26412 0.26636 1.00000
Nb1 Nb 0.99831 0.00169 0.00158 1.00000
Nb2 Nb 0.99879 0.49859 0.00100 1.00000
Nb3 Nb 0.50141 0.00121 0.00100 1.00000
Fe1 Fe 0.99775 0.00225 0.49770 1.00000
Fe2 Fe 0.99924 0.49970 0.49883 1.00000
Fe3 Fe 0.50074 0.49926 0.00068 1.00000
Fe4 Fe 0.50030 0.00076 0.49883 1.00000
Fe5 Fe 0.50055 0.49945 0.50034 1.00000
O1 O 0.99931 0.75260 0.05832 1.00000
O2 O 0.99837 0.25094 0.93874 1.00000
O3 O 0.99887 0.74968 0.45052 1.00000
O4 O 0.99934 0.25263 0.54854 1.00000
O5 O 0.50472 0.75093 0.95725 1.00000
O6 O 0.50296 0.24867 0.05190 1.00000
O7 O 0.50594 0.75178 0.53249 1.00000
O8 O 0.50327 0.24763 0.46160 1.00000
O9 O 0.24740 0.00069 0.05832 1.00000
O10 O 0.24907 0.49528 0.95725 1.00000
O11 O 0.25032 0.00113 0.45052 1.00000
O12 O 0.24822 0.49406 0.53249 1.00000
O13 O 0.74906 0.00163 0.93874 1.00000
O14 O 0.75133 0.49704 0.05190 1.00000
O15 O 0.74737 0.00066 0.54854 1.00000
O16 O 0.75237 0.49673 0.46160 1.00000
O17 O 0.03899 0.96101 0.75544 1.00000
O18 O 0.95791 0.55401 0.75561 1.00000
O19 O 0.94620 0.05380 0.24232 1.00000
O20 O 0.04141 0.44956 0.24552 1.00000
O21 O 0.44599 0.04209 0.75561 1.00000
O22 O 0.53789 0.46211 0.74548 1.00000
O23 O 0.55044 0.95859 0.24552 1.00000
O24 O 0.46139 0.53861 0.25571 1.00000
