Sr17Ca2
Alexandria ALEXAlex-ID: agm036622184 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B17_42_spg2
Ca Sr
2024-12-02 23:20:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036622184).
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 agm036622184
data_agm036622184
_cell_length_a 7.28010
_cell_length_b 11.21868
_cell_length_c 12.66893
_cell_angle_alpha 100.61619
_cell_angle_beta 95.53721
_cell_angle_gamma 89.55767
_cell_volume 1012.20075
_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 0.26831 0.55192 0.07762 1.00000
Sr2 Sr 0.15835 0.13039 0.44621 1.00000
Sr3 Sr 0.00000 0.50000 0.50000 1.00000
Sr4 Sr 0.84165 0.86961 0.55379 1.00000
Sr5 Sr 0.73169 0.44808 0.92238 1.00000
Sr6 Sr 0.94918 0.28926 0.18072 1.00000
Sr7 Sr 0.11140 0.92132 0.12714 1.00000
Sr8 Sr 0.63234 0.02624 0.28196 1.00000
Sr9 Sr 0.20868 0.33861 0.76642 1.00000
Sr10 Sr 0.68224 0.23621 0.60473 1.00000
Sr11 Sr 0.52483 0.60670 0.66181 1.00000
Sr12 Sr 0.47517 0.39330 0.33819 1.00000
Sr13 Sr 0.79132 0.66139 0.23358 1.00000
Sr14 Sr 0.31776 0.76379 0.39527 1.00000
Sr15 Sr 0.88860 0.07868 0.87286 1.00000
Sr16 Sr 0.36766 0.97376 0.71804 1.00000
Sr17 Sr 0.05082 0.71074 0.81928 1.00000
Ca1 Ca 0.57868 0.81853 0.97413 1.00000
Ca2 Ca 0.42132 0.18147 0.02587 1.00000
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