Sr3Ca2Pr3
Alexandria ALEXAlex-ID: agm012104871 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_16_spg71
Sr Ca Pr
2024-05-28 11:22:03.144550
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012104871).
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 agm012104871
data_agm012104871
_cell_length_a 13.23554
_cell_length_b 13.23554
_cell_length_c 6.99679
_cell_angle_alpha 76.49563
_cell_angle_beta 76.49563
_cell_angle_gamma 16.62312
_cell_volume 340.73640
_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 0.62688 0.62688 0.69207 1.00000
Sr2 Sr 0.50000 0.50000 0.50000 1.00000
Sr3 Sr 0.37312 0.37312 0.30793 1.00000
Ca1 Ca 0.25406 0.25406 0.75969 1.00000
Ca2 Ca 0.74594 0.74594 0.24031 1.00000
Pr1 Pr 0.12274 0.12274 0.18325 1.00000
Pr2 Pr 0.87726 0.87726 0.81675 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Get direct link