VCr6Tc
Alexandria ALEXAlex-ID: agm005809052 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_246_spg12
Cr VTc
2023-07-25 07:05:52.379612
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809052).
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
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# CIF generated by HEAS from Alexandria entry agm005809052
data_agm005809052
_cell_length_a 4.09425
_cell_length_b 4.09425
_cell_length_c 6.78742
_cell_angle_alpha 81.50984
_cell_angle_beta 81.50985
_cell_angle_gamma 75.92653
_cell_volume 108.40949
_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 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.48819 0.94441 0.70578 1.00000
Cr2 Cr 0.94441 0.48819 0.70578 1.00000
Cr3 Cr 0.05559 0.51181 0.29422 1.00000
Cr4 Cr 0.51181 0.05559 0.29422 1.00000
Cr5 Cr 0.62196 0.62196 0.08906 1.00000
Cr6 Cr 0.37804 0.37804 0.91094 1.00000
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
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