Tc2Ir4Os3
Alexandria ALEXAlex-ID: agm005686923 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_842_spg2
TcIr2 Os
2023-06-29 03:00:18.103626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686923).
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 agm005686923
data_agm005686923
_cell_length_a 4.78239
_cell_length_b 7.03698
_cell_length_c 8.49751
_cell_angle_alpha 71.44926
_cell_angle_beta 73.77128
_cell_angle_gamma 89.94516
_cell_volume 259.09206
_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
Tc1 Tc 0.61145 0.86158 0.61142 1.00000
Tc2 Tc 0.83301 0.41539 0.16552 1.00000
Tc3 Tc 0.38855 0.13842 0.38858 1.00000
Tc4 Tc 0.16699 0.58461 0.83448 1.00000
Ir1 Ir 0.50049 0.08163 0.83310 1.00000
Ir2 Ir 0.94602 0.19760 0.94252 1.00000
Ir3 Ir 0.49951 0.91837 0.16690 1.00000
Ir4 Ir 0.05398 0.80240 0.05748 1.00000
Ir5 Ir 0.16708 0.75023 0.50039 1.00000
Ir6 Ir 0.27856 0.52437 0.27944 1.00000
Ir7 Ir 0.83292 0.24977 0.49961 1.00000
Ir8 Ir 0.72144 0.47563 0.72056 1.00000
Os1 Os 0.05642 0.96954 0.72201 1.00000
Os2 Os 0.38835 0.30769 0.05683 1.00000
Os3 Os 0.94358 0.03046 0.27799 1.00000
Os4 Os 0.61165 0.69231 0.94317 1.00000
Os5 Os 0.28033 0.36038 0.61078 1.00000
Os6 Os 0.71967 0.63962 0.38922 1.00000
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