Sr9Ca4
Alexandria ALEXAlex-ID: agm031883285 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B9_230_spg87
Ca Sr
2025-03-25 05:13:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm031883285).
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 agm031883285
data_agm031883285
_cell_length_a 11.00393
_cell_length_b 11.00393
_cell_length_c 11.00393
_cell_angle_alpha 94.03137
_cell_angle_beta 94.03137
_cell_angle_gamma 149.24870
_cell_volume 656.90187
_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 0.46383 0.69890 0.16272 1.00000
Sr2 Sr 0.53617 0.30110 0.83728 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Sr4 Sr 0.69890 0.53617 0.23507 1.00000
Sr5 Sr 0.30110 0.46383 0.76493 1.00000
Sr6 Sr 0.84562 0.76581 0.61143 1.00000
Sr7 Sr 0.15438 0.23419 0.38857 1.00000
Sr8 Sr 0.23419 0.84562 0.07980 1.00000
Sr9 Sr 0.76581 0.15438 0.92020 1.00000
Ca1 Ca 0.60940 0.92832 0.53772 1.00000
Ca2 Ca 0.07168 0.60940 0.68108 1.00000
Ca3 Ca 0.39060 0.07168 0.46228 1.00000
Ca4 Ca 0.92832 0.39060 0.31892 1.00000
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