Sr2Pr2Mn3CdO12
Alexandria ALEXAlex-ID: agm010724907 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
SrPrMn2O6 PrO2 SrMnO3 CdO
2024-05-14 23:24:47.870160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010724907).
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
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# CIF generated by HEAS from Alexandria entry agm010724907
data_agm010724907
_cell_length_a 5.60740
_cell_length_b 5.68605
_cell_length_c 7.93297
_cell_angle_alpha 90.11592
_cell_angle_beta 90.15678
_cell_angle_gamma 90.05704
_cell_volume 252.93315
_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 0.49560 0.46523 0.25041 1.00000
Sr2 Sr 0.99434 0.03403 0.74860 1.00000
Pr1 Pr 0.01252 0.94846 0.24864 1.00000
Pr2 Pr 0.50866 0.55061 0.75054 1.00000
Mn1 Mn 0.50096 0.00433 0.50003 1.00000
Mn2 Mn 0.00157 0.49688 0.50001 1.00000
Mn3 Mn 0.50000 0.00244 0.00063 1.00000
Cd1 Cd 0.99908 0.48959 0.99811 1.00000
O1 O 0.21397 0.17160 0.04364 1.00000
O2 O 0.27513 0.73270 0.45981 1.00000
O3 O 0.76937 0.77373 0.54283 1.00000
O4 O 0.66487 0.28836 0.95779 1.00000
O5 O 0.77480 0.81482 0.96746 1.00000
O6 O 0.71307 0.28386 0.54288 1.00000
O7 O 0.21612 0.21296 0.45509 1.00000
O8 O 0.31483 0.72595 0.03368 1.00000
O9 O 0.58550 0.01419 0.25479 1.00000
O10 O 0.93462 0.52686 0.27140 1.00000
O11 O 0.43334 0.97700 0.74604 1.00000
O12 O 0.09164 0.48639 0.72764 1.00000
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