Zr3Ti9Si10
Alexandria ALEXAlex-ID: agm008109367 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B9C10_2_spg8
Zr2Ti3Si4 TiSi Ti5Si4
2025-03-02 03:24:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008109367).
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 agm008109367
data_agm008109367
_cell_length_a 9.65810
_cell_length_b 9.65810
_cell_length_c 7.96579
_cell_angle_alpha 65.60850
_cell_angle_beta 114.39150
_cell_angle_gamma 148.84286
_cell_volume 347.31684
_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
Zr1 Zr 0.14092 0.85908 0.01954 1.00000
Zr2 Zr 0.36000 0.64000 0.74232 1.00000
Zr3 Zr 0.64111 0.35889 0.26115 1.00000
Ti1 Ti 0.06093 0.43873 0.31151 1.00000
Ti2 Ti 0.44029 0.05964 0.69064 1.00000
Ti3 Ti 0.94036 0.55971 0.69064 1.00000
Ti4 Ti 0.56127 0.93907 0.31151 1.00000
Ti5 Ti 0.56253 0.43747 0.80707 1.00000
Ti6 Ti 0.43784 0.56216 0.19179 1.00000
Ti7 Ti 0.06242 0.93758 0.31786 1.00000
Ti8 Ti 0.93823 0.06177 0.68036 1.00000
Ti9 Ti 0.86011 0.13989 0.98041 1.00000
Si1 Si 0.93537 0.06463 0.34652 1.00000
Si2 Si 0.06353 0.93647 0.64296 1.00000
Si3 Si 0.43719 0.56281 0.51791 1.00000
Si4 Si 0.56361 0.43639 0.48213 1.00000
Si5 Si 0.75240 0.75475 0.99940 1.00000
Si6 Si 0.24525 0.24760 0.99940 1.00000
Si7 Si 0.71426 0.28574 0.00798 1.00000
Si8 Si 0.28923 0.71077 0.99227 1.00000
Si9 Si 0.21211 0.78789 0.41545 1.00000
Si10 Si 0.79008 0.20992 0.59123 1.00000
