V2Ir4Os3
Alexandria ALEXAlex-ID: agm005692016 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_842_spg2
VIr3 VIr VOs5
2023-06-29 05:48:03.013876
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692016).
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 agm005692016
data_agm005692016
_cell_length_a 4.74348
_cell_length_b 7.02110
_cell_length_c 8.44374
_cell_angle_alpha 71.72673
_cell_angle_beta 73.62223
_cell_angle_gamma 89.83931
_cell_volume 255.06439
_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
V1 V 0.62344 0.86384 0.60746 1.00000
V2 V 0.83481 0.41480 0.17160 1.00000
V3 V 0.37656 0.13616 0.39254 1.00000
V4 V 0.16519 0.58520 0.82840 1.00000
Ir1 Ir 0.49906 0.08048 0.83295 1.00000
Ir2 Ir 0.94398 0.20373 0.94329 1.00000
Ir3 Ir 0.50094 0.91952 0.16705 1.00000
Ir4 Ir 0.05602 0.79627 0.05671 1.00000
Ir5 Ir 0.17029 0.75211 0.49933 1.00000
Ir6 Ir 0.27881 0.52057 0.28070 1.00000
Ir7 Ir 0.82971 0.24789 0.50067 1.00000
Ir8 Ir 0.72119 0.47943 0.71930 1.00000
Os1 Os 0.06122 0.96770 0.72391 1.00000
Os2 Os 0.38950 0.31052 0.05333 1.00000
Os3 Os 0.93878 0.03230 0.27609 1.00000
Os4 Os 0.61050 0.68948 0.94667 1.00000
Os5 Os 0.28222 0.36001 0.60911 1.00000
Os6 Os 0.71778 0.63999 0.39089 1.00000
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