Sr6CaAc
Alexandria ALEXAlex-ID: agm003769367 · Space group: Pm-3 (#200)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_33_spg200
Sr Ca Ac
2022-04-19 22:51:41.065001
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003769367).
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 agm003769367
data_agm003769367
_cell_length_a 10.55943
_cell_length_b 10.56459
_cell_length_c 7.47617
_cell_angle_alpha 45.03003
_cell_angle_beta 45.07000
_cell_angle_gamma 60.03336
_cell_volume 417.73373
_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 0.99976 0.50026 0.74922 1.00000
Sr2 Sr 0.75077 0.99989 0.74848 1.00000
Sr3 Sr 0.49972 0.24922 0.25112 1.00000
Sr4 Sr 0.24923 0.00011 0.25152 1.00000
Sr5 Sr 0.00024 0.49974 0.25078 1.00000
Sr6 Sr 0.50028 0.75078 0.74888 1.00000
Ca1 Ca 0.50000 0.50000 0.50000 1.00000
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
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