Ta6Mn3CrOs2
Alexandria ALEXAlex-ID: agm041908705 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_407_spg2
Ta2Os Ta6Mn5Os Ta2CrOs Ta2Mn3Os
2024-11-01 17:31:06.999077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041908705).
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 agm041908705
data_agm041908705
_cell_length_a 6.97051
_cell_length_b 6.97051
_cell_length_c 7.62739
_cell_angle_alpha 56.72635
_cell_angle_beta 56.72635
_cell_angle_gamma 36.80808
_cell_volume 181.15963
_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 0.42216 0.42216 0.91371 1.00000
Ta2 Ta 0.24995 0.24995 0.74134 1.00000
Ta3 Ta 0.57784 0.57784 0.08629 1.00000
Ta4 Ta 0.08456 0.08456 0.58476 1.00000
Ta5 Ta 0.75005 0.75005 0.25866 1.00000
Ta6 Ta 0.91544 0.91544 0.41524 1.00000
Mn1 Mn 0.66682 0.66682 0.66742 1.00000
Mn2 Mn 0.33318 0.33318 0.33258 1.00000
Mn3 Mn 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
Os1 Os 0.83290 0.83290 0.83444 1.00000
Os2 Os 0.16710 0.16710 0.16556 1.00000
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