V4Cr2Se9
Alexandria ALEXAlex-ID: agm005642140 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_141_spg2
V4CrSe8 V3Se4 Cr2Se3
2023-06-17 02:28:21.462987
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642140).
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 agm005642140
data_agm005642140
_cell_length_a 6.49320
_cell_length_b 6.35553
_cell_length_c 17.02584
_cell_angle_alpha 89.27861
_cell_angle_beta 89.99712
_cell_angle_gamma 59.27627
_cell_volume 603.93486
_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 0.34393 0.30975 0.99636 1.00000
V2 V 0.34628 0.30975 0.49637 1.00000
V3 V 0.65607 0.69025 0.00364 1.00000
V4 V 0.32604 0.34306 0.17368 1.00000
V5 V 0.65372 0.69025 0.50363 1.00000
V6 V 0.66901 0.65703 0.32629 1.00000
V7 V 0.33099 0.34297 0.67371 1.00000
V8 V 0.67396 0.65694 0.82632 1.00000
Cr1 Cr 0.00201 0.00594 0.34269 1.00000
Cr2 Cr 0.00791 0.99408 0.15728 1.00000
Cr3 Cr 0.99799 0.99406 0.65731 1.00000
Cr4 Cr 0.99209 0.00592 0.84272 1.00000
Se1 Se 0.99538 0.32182 0.74600 1.00000
Se2 Se 0.31726 0.67812 0.75402 1.00000
Se3 Se 0.68461 0.99999 0.75003 1.00000
Se4 Se 0.00462 0.67818 0.25400 1.00000
Se5 Se 0.68274 0.32188 0.24598 1.00000
Se6 Se 0.31539 0.00001 0.24997 1.00000
Se7 Se 0.65949 0.99628 0.40962 1.00000
Se8 Se 0.98829 0.34692 0.42056 1.00000
Se9 Se 0.35087 0.66095 0.41717 1.00000
Se10 Se 0.65577 0.00374 0.09035 1.00000
Se11 Se 0.33515 0.65314 0.07939 1.00000
Se12 Se 0.01177 0.33914 0.08285 1.00000
Se13 Se 0.34051 0.00372 0.59038 1.00000
Se14 Se 0.01171 0.65308 0.57944 1.00000
Se15 Se 0.64913 0.33905 0.58283 1.00000
Se16 Se 0.34423 0.99626 0.90965 1.00000
Se17 Se 0.66485 0.34686 0.92061 1.00000
Se18 Se 0.98823 0.66086 0.91715 1.00000
