TaCr5Os6
Alexandria ALEXAlex-ID: agm068528985 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
CrOs3 Ta2CrOs Cr
2024-10-22 06:03:03.247781
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068528985).
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 agm068528985
data_agm068528985
_cell_length_a 6.82086
_cell_length_b 6.82086
_cell_length_c 6.03336
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.08102
_cell_volume 168.61069
_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
Ta1 Ta 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.83775 0.16225 0.00000 1.00000
Cr2 Cr 0.17166 0.82834 0.50000 1.00000
Cr3 Cr 0.50000 0.50000 0.00000 1.00000
Cr4 Cr 0.82834 0.17166 0.50000 1.00000
Cr5 Cr 0.16225 0.83775 0.00000 1.00000
Os1 Os 0.66990 0.33010 0.24030 1.00000
Os2 Os 0.66990 0.33010 0.75970 1.00000
Os3 Os 0.00000 0.00000 0.75627 1.00000
Os4 Os 0.00000 0.00000 0.24373 1.00000
Os5 Os 0.33010 0.66990 0.24030 1.00000
Os6 Os 0.33010 0.66990 0.75970 1.00000
Get direct link