Sr3Ca2
Alexandria ALEXAlex-ID: agm005529655 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_995_spg43
Ca Sr
2023-05-26 16:53:33.416245
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005529655).
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 agm005529655
data_agm005529655
_cell_length_a 9.24780
_cell_length_b 9.24780
_cell_length_c 8.55611
_cell_angle_alpha 117.67101
_cell_angle_beta 117.67101
_cell_angle_gamma 98.08722
_cell_volume 511.27583
_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 0.35157 0.46744 0.68753 1.00000
Sr2 Sr 0.53256 0.64843 0.31247 1.00000
Sr3 Sr 0.41404 0.02992 0.81247 1.00000
Sr4 Sr 0.97008 0.58596 0.18753 1.00000
Sr5 Sr 0.19783 0.80217 1.00000 1.00000
Sr6 Sr 0.94783 0.05217 0.50000 1.00000
Ca1 Ca 0.14427 0.22623 0.08309 1.00000
Ca2 Ca 0.77377 0.85573 0.91691 1.00000
Ca3 Ca 0.81119 0.39314 0.41691 1.00000
Ca4 Ca 0.60686 0.18881 0.58309 1.00000
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