Sr9Ca2
Alexandria ALEXAlex-ID: agm040681897 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9_63_spg12
Ca Sr
2025-01-04 00:45:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040681897).
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 agm040681897
data_agm040681897
_cell_length_a 7.24251
_cell_length_b 9.39337
_cell_length_c 9.40544
_cell_angle_alpha 107.37223
_cell_angle_beta 105.03610
_cell_angle_gamma 97.66981
_cell_volume 574.12165
_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 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.36737 0.26889 0.45774 1.00000
Sr3 Sr 0.63263 0.73111 0.54226 1.00000
Sr4 Sr 0.09070 0.82140 0.36203 1.00000
Sr5 Sr 0.18370 0.64304 0.72963 1.00000
Sr6 Sr 0.90930 0.17860 0.63797 1.00000
Sr7 Sr 0.81630 0.35696 0.27037 1.00000
Sr8 Sr 0.72372 0.54393 0.90995 1.00000
Sr9 Sr 0.27628 0.45607 0.09005 1.00000
Ca1 Ca 0.45471 0.08931 0.82234 1.00000
Ca2 Ca 0.54529 0.91069 0.17766 1.00000
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