V3Cr2Os
Alexandria ALEXAlex-ID: agm014416634 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_229_spg2
V3Cr2Os
2024-12-09 20:52:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014416634).
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 agm014416634
data_agm014416634
_cell_length_a 6.58817
_cell_length_b 6.58817
_cell_length_c 5.90245
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 142.97080
_cell_volume 154.28342
_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 0.33568 0.66432 0.74182 1.00000
V2 V 0.00000 0.00000 0.25464 1.00000
V3 V 0.66432 0.33568 0.25818 1.00000
V4 V 0.33568 0.66432 0.25818 1.00000
V5 V 0.66432 0.33568 0.74182 1.00000
V6 V 0.00000 0.00000 0.74536 1.00000
Cr1 Cr 0.50000 0.50000 0.00000 1.00000
Cr2 Cr 0.50000 0.50000 0.50000 1.00000
Cr3 Cr 0.83298 0.16702 0.50000 1.00000
Cr4 Cr 0.16702 0.83298 0.50000 1.00000
Os1 Os 0.83394 0.16606 0.00000 1.00000
Os2 Os 0.16606 0.83394 0.00000 1.00000
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