V3SeI7
Alexandria ALEXAlex-ID: agm002245337 · Space group: P3m1 (#156)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_0_spg156
V7Se12 VI3 V3Se4
2018-07-16 11:38:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002245337).
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 agm002245337
data_agm002245337
_cell_length_a 7.21800
_cell_length_b 7.47574
_cell_length_c 7.47574
_cell_angle_alpha 119.99992
_cell_angle_beta 89.99985
_cell_angle_gamma 90.00015
_cell_volume 349.34596
_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
I1 I 0.25945 0.33154 0.16577 1.00000
I2 I 0.71048 0.50073 0.49927 1.00000
I3 I 0.25945 0.83423 0.66846 1.00000
I4 I 0.71048 0.99855 0.49927 1.00000
I5 I 0.30847 0.33333 0.66667 1.00000
I6 I 0.25944 0.83423 0.16577 1.00000
I7 I 0.71048 0.50073 0.00145 1.00000
Se1 Se 0.74201 0.00000 1.00000 1.00000
V1 V 0.50339 0.73687 0.86843 1.00000
V2 V 0.50339 0.13157 0.26313 1.00000
V3 V 0.50339 0.13156 0.86844 1.00000
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