Sr2PrGaFe2O7
Alexandria ALEXAlex-ID: agm011159974 · Space group: Ima2 (#46)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E7_60_spg1
Pr3FeO6 Sr3(FeO3)2 Sr3Ga4O9 Fe FeO
2024-09-04 04:50:54.349163
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011159974).
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 agm011159974
data_agm011159974
_cell_length_a 11.99165
_cell_length_b 11.99165
_cell_length_c 11.99165
_cell_angle_alpha 152.57181
_cell_angle_beta 151.56962
_cell_angle_gamma 39.91608
_cell_volume 377.44493
_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 0.87453 0.36624 0.54925 1.00000
Sr2 Sr 0.12547 0.67472 0.49171 1.00000
Sr3 Sr 0.31699 0.86624 0.49171 1.00000
Sr4 Sr 0.68301 0.17472 0.54925 1.00000
Pr1 Pr 0.50000 0.02484 0.52484 1.00000
Pr2 Pr 0.00000 0.52484 0.52484 1.00000
Ga1 Ga 0.32359 0.28142 0.10501 1.00000
Ga2 Ga 0.67641 0.78142 0.95782 1.00000
Fe1 Fe 0.09063 0.10150 0.02413 1.00000
Fe2 Fe 0.42263 0.43350 0.02413 1.00000
Fe3 Fe 0.57737 0.60150 0.01087 1.00000
Fe4 Fe 0.90937 0.93350 0.01087 1.00000
O1 O 0.21852 0.70901 0.06221 1.00000
O2 O 0.39271 0.61290 0.50561 1.00000
O3 O 0.14681 0.20901 0.49050 1.00000
O4 O 0.74491 0.64016 0.02681 1.00000
O5 O 0.28954 0.81538 0.96089 1.00000
O6 O 0.35450 0.31538 0.52584 1.00000
O7 O 0.60729 0.11290 0.22019 1.00000
O8 O 0.85319 0.34369 0.06221 1.00000
O9 O 0.78148 0.84369 0.49050 1.00000
O10 O 0.11335 0.14016 0.89525 1.00000
O11 O 0.25509 0.28190 0.89525 1.00000
O12 O 0.88665 0.78190 0.02681 1.00000
O13 O 0.71046 0.67134 0.52584 1.00000
O14 O 0.64550 0.17134 0.96089 1.00000
