Ti3Cr17Si12
Alexandria ALEXAlex-ID: agm005281140 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B12C17_0_spg38
Ti2Cr4Si5 Cr3Si CrSi2
2024-10-08 22:48:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005281140).
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 agm005281140
data_agm005281140
_cell_length_a 4.63546
_cell_length_b 6.89720
_cell_length_c 13.00536
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.63572
_cell_volume 391.62346
_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
Ti1 Ti 0.99862 0.50000 0.75000 1.00000
Ti2 Ti 0.00130 0.50000 0.25000 1.00000
Ti3 Ti 0.49847 0.50000 0.75000 1.00000
Cr1 Cr 0.92740 0.84448 0.35088 1.00000
Cr2 Cr 0.42076 0.84441 0.85386 1.00000
Cr3 Cr 0.58292 0.15552 0.14912 1.00000
Cr4 Cr 0.07634 0.15559 0.64614 1.00000
Cr5 Cr 0.14515 0.29719 0.07925 1.00000
Cr6 Cr 0.64801 0.29622 0.57647 1.00000
Cr7 Cr 0.34797 0.70281 0.42075 1.00000
Cr8 Cr 0.85180 0.70378 0.92353 1.00000
Cr9 Cr 0.34797 0.70281 0.07925 1.00000
Cr10 Cr 0.85180 0.70378 0.57647 1.00000
Cr11 Cr 0.14515 0.29719 0.42075 1.00000
Cr12 Cr 0.64801 0.29622 0.92353 1.00000
Cr13 Cr 0.58292 0.15552 0.35088 1.00000
Cr14 Cr 0.07634 0.15559 0.85386 1.00000
Cr15 Cr 0.92740 0.84448 0.14912 1.00000
Cr16 Cr 0.42076 0.84441 0.64614 1.00000
Cr17 Cr 0.50101 0.50000 0.25000 1.00000
Si1 Si 0.25083 0.00169 0.00122 1.00000
Si2 Si 0.74914 0.99831 0.49878 1.00000
Si3 Si 0.74914 0.99831 0.00122 1.00000
Si4 Si 0.25083 0.00169 0.49878 1.00000
Si5 Si 0.73907 0.50000 0.07800 1.00000
Si6 Si 0.24673 0.50000 0.57416 1.00000
Si7 Si 0.73907 0.50000 0.42200 1.00000
Si8 Si 0.24673 0.50000 0.92584 1.00000
Si9 Si 0.43791 0.84529 0.25000 1.00000
Si10 Si 0.92475 0.85167 0.75000 1.00000
Si11 Si 0.09262 0.15471 0.25000 1.00000
Si12 Si 0.57308 0.14833 0.75000 1.00000
