Ca2Sm2Co(PdO4)3
Alexandria ALEXAlex-ID: agm010732083 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_32_spg1
Ca2Pd3O8 Sm2Pd2O7 Ca6PdO8 Co3O4 CaPd3O4
2024-05-14 21:04:49.561983
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010732083).
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 agm010732083
data_agm010732083
_cell_length_a 5.44562
_cell_length_b 5.78545
_cell_length_c 7.67072
_cell_angle_alpha 89.97352
_cell_angle_beta 90.19532
_cell_angle_gamma 90.31880
_cell_volume 241.66328
_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 0.48671 0.43396 0.75658 1.00000
Ca2 Ca 0.97734 0.07169 0.24492 1.00000
Sm1 Sm 0.02696 0.92488 0.75890 1.00000
Sm2 Sm 0.51880 0.57010 0.24187 1.00000
Co1 Co 0.00017 0.49176 0.99954 1.00000
Pd1 Pd 0.49950 0.00307 0.49982 1.00000
Pd2 Pd 0.00006 0.49760 0.50011 1.00000
Pd3 Pd 0.50126 0.00377 0.00027 1.00000
O1 O 0.90610 0.53192 0.75945 1.00000
O2 O 0.62070 0.04346 0.74975 1.00000
O3 O 0.10001 0.46816 0.24066 1.00000
O4 O 0.38274 0.95722 0.25011 1.00000
O5 O 0.68955 0.30503 0.04967 1.00000
O6 O 0.80420 0.79851 0.44015 1.00000
O7 O 0.30819 0.69971 0.55995 1.00000
O8 O 0.19250 0.19578 0.94974 1.00000
O9 O 0.30921 0.70171 0.95032 1.00000
O10 O 0.18653 0.19354 0.55570 1.00000
O11 O 0.68507 0.30635 0.44254 1.00000
O12 O 0.80441 0.80179 0.04996 1.00000
Get direct link