Sr2Ti(GaCo)2
Alexandria ALEXAlex-ID: agm022976313 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
Sr8Ga7 TiGaCo2 Sr
2025-04-19 09:44:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022976313).
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 agm022976313
data_agm022976313
_cell_length_a 4.15266
_cell_length_b 4.15266
_cell_length_c 11.24560
_cell_angle_alpha 79.33895
_cell_angle_beta 100.66105
_cell_angle_gamma 119.98689
_cell_volume 164.08935
_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 0.11006 0.88994 0.32935 1.00000
Sr2 Sr 0.88994 0.11006 0.67065 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.71348 0.28652 0.14026 1.00000
Ga2 Ga 0.28652 0.71348 0.85974 1.00000
Co1 Co 0.64057 0.35943 0.92180 1.00000
Co2 Co 0.35943 0.64057 0.07820 1.00000
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