Sm2Ti3Ge4
Alexandria ALEXAlex-ID: agm078550889 · Space group: P4_12_12 (#92)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_98_spg92
Sm2Ti3Ge4
2025-01-10 10:08:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078550889).
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 agm078550889
data_agm078550889
_cell_length_a 7.23897
_cell_length_b 7.23897
_cell_length_c 13.34967
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 699.55917
_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
Sm1 Sm 0.49892 0.83658 0.03112 1.00000
Sm2 Sm 0.66342 0.99892 0.28112 1.00000
Sm3 Sm 0.50108 0.16342 0.53112 1.00000
Sm4 Sm 0.33658 0.00108 0.78112 1.00000
Sm5 Sm 0.99892 0.66342 0.71888 1.00000
Sm6 Sm 0.16342 0.50108 0.46888 1.00000
Sm7 Sm 0.00108 0.33658 0.21888 1.00000
Sm8 Sm 0.83658 0.49892 0.96888 1.00000
Ti1 Ti 0.33620 0.49151 0.87582 1.00000
Ti2 Ti 0.00849 0.83620 0.12582 1.00000
Ti3 Ti 0.66380 0.50849 0.37582 1.00000
Ti4 Ti 0.99151 0.16380 0.62582 1.00000
Ti5 Ti 0.83620 0.00849 0.87418 1.00000
Ti6 Ti 0.50849 0.66380 0.62418 1.00000
Ti7 Ti 0.16380 0.99151 0.37418 1.00000
Ti8 Ti 0.49151 0.33620 0.12418 1.00000
Ti9 Ti 0.66882 0.33118 0.75000 1.00000
Ti10 Ti 0.16882 0.16882 0.00000 1.00000
Ti11 Ti 0.33118 0.66882 0.25000 1.00000
Ti12 Ti 0.83118 0.83118 0.50000 1.00000
Ge1 Ge 0.28861 0.03444 0.18195 1.00000
Ge2 Ge 0.46556 0.78861 0.43195 1.00000
Ge3 Ge 0.71139 0.96556 0.68195 1.00000
Ge4 Ge 0.53444 0.21139 0.93195 1.00000
Ge5 Ge 0.78861 0.46556 0.56805 1.00000
Ge6 Ge 0.96556 0.71139 0.31805 1.00000
Ge7 Ge 0.21139 0.53444 0.06805 1.00000
Ge8 Ge 0.03444 0.28861 0.81805 1.00000
Ge9 Ge 0.62069 0.69598 0.81873 1.00000
Ge10 Ge 0.80402 0.12069 0.06873 1.00000
Ge11 Ge 0.37931 0.30402 0.31873 1.00000
Ge12 Ge 0.19598 0.87931 0.56873 1.00000
Ge13 Ge 0.12069 0.80402 0.93127 1.00000
Ge14 Ge 0.30402 0.37931 0.68127 1.00000
Ge15 Ge 0.87931 0.19598 0.43127 1.00000
Ge16 Ge 0.69598 0.62069 0.18127 1.00000
