Sc5Ti3(Co4As3)4
Alexandria ALEXAlex-ID: agm017908082 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C12D16_0_spg189
Sc5Ti3(Co4As3)4
2024-10-16 01:38:53.066101
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017908082).
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 agm017908082
data_agm017908082
_cell_length_a 12.44131
_cell_length_b 12.44131
_cell_length_c 3.71390
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 497.84332
_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
Sc1 Sc 0.81693 0.00000 0.50000 1.00000
Sc2 Sc 0.18307 0.18307 0.50000 1.00000
Sc3 Sc 0.00000 0.81693 0.50000 1.00000
Sc4 Sc 0.66667 0.33333 0.00000 1.00000
Sc5 Sc 0.33333 0.66667 0.00000 1.00000
Ti1 Ti 0.44175 0.00000 0.00000 1.00000
Ti2 Ti 0.55825 0.55825 0.00000 1.00000
Ti3 Ti 0.00000 0.44175 0.00000 1.00000
Co1 Co 0.28485 0.00000 0.50000 1.00000
Co2 Co 0.71515 0.71515 0.50000 1.00000
Co3 Co 0.00000 0.28485 0.50000 1.00000
Co4 Co 0.82411 0.19885 0.00000 1.00000
Co5 Co 0.37473 0.17589 0.00000 1.00000
Co6 Co 0.80115 0.62527 0.00000 1.00000
Co7 Co 0.19885 0.82411 0.00000 1.00000
Co8 Co 0.17589 0.37473 0.00000 1.00000
Co9 Co 0.62527 0.80115 0.00000 1.00000
Co10 Co 0.64597 0.12442 0.50000 1.00000
Co11 Co 0.47845 0.35403 0.50000 1.00000
Co12 Co 0.87558 0.52155 0.50000 1.00000
Co13 Co 0.12442 0.64597 0.50000 1.00000
Co14 Co 0.35403 0.47845 0.50000 1.00000
Co15 Co 0.52155 0.87558 0.50000 1.00000
Co16 Co 0.00000 0.00000 0.00000 1.00000
As1 As 0.17608 0.00000 0.00000 1.00000
As2 As 0.82392 0.82392 0.00000 1.00000
As3 As 0.00000 0.17608 0.00000 1.00000
As4 As 0.82883 0.31629 0.50000 1.00000
As5 As 0.48746 0.17117 0.50000 1.00000
As6 As 0.68371 0.51254 0.50000 1.00000
As7 As 0.31629 0.82883 0.50000 1.00000
As8 As 0.17117 0.48746 0.50000 1.00000
As9 As 0.51254 0.68371 0.50000 1.00000
As10 As 0.64836 0.00000 0.00000 1.00000
As11 As 0.35164 0.35164 0.00000 1.00000
As12 As 0.00000 0.64836 0.00000 1.00000
