V8In3(MoSe6)4
Alexandria ALEXAlex-ID: agm017144562 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8D24_4_spg1
V4InSe8 InSe V3Se4 MoSe2
2025-03-07 21:53:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017144562).
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 agm017144562
data_agm017144562
_cell_length_a 7.30555
_cell_length_b 10.39150
_cell_length_c 12.73419
_cell_angle_alpha 113.36101
_cell_angle_beta 106.04847
_cell_angle_gamma 91.41028
_cell_volume 842.95980
_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 0.41333 0.80257 0.80589 1.00000
V2 V 0.74611 0.13731 0.47317 1.00000
V3 V 0.92954 0.32455 0.86139 1.00000
V4 V 0.27333 0.66401 0.52762 1.00000
V5 V 0.60843 0.99893 0.19455 1.00000
V6 V 0.79493 0.60389 0.00156 1.00000
V7 V 0.13228 0.94179 0.66630 1.00000
V8 V 0.46698 0.27634 0.33349 1.00000
In1 In 0.01100 0.00312 0.00063 1.00000
In2 In 0.34147 0.33762 0.66729 1.00000
In3 In 0.67604 0.67216 0.33517 1.00000
Mo1 Mo 0.20101 0.59888 0.00353 1.00000
Mo2 Mo 0.52257 0.92676 0.66602 1.00000
Mo3 Mo 0.85637 0.26280 0.33329 1.00000
Mo4 Mo 0.06865 0.46852 0.13276 1.00000
Se1 Se 0.72040 0.85870 0.00028 1.00000
Se2 Se 0.05092 0.19283 0.66739 1.00000
Se3 Se 0.38348 0.52631 0.33202 1.00000
Se4 Se 0.57301 0.71595 0.14420 1.00000
Se5 Se 0.90099 0.04383 0.80829 1.00000
Se6 Se 0.23502 0.38016 0.47549 1.00000
Se7 Se 0.43004 0.57139 0.85847 1.00000
Se8 Se 0.75976 0.90518 0.52518 1.00000
Se9 Se 0.09324 0.23769 0.19045 1.00000
Se10 Se 0.28904 0.85698 0.00092 1.00000
Se11 Se 0.61619 0.18787 0.66639 1.00000
Se12 Se 0.95097 0.52326 0.33335 1.00000
Se13 Se 0.73261 0.36868 0.99669 1.00000
Se14 Se 0.08370 0.70721 0.66697 1.00000
Se15 Se 0.41753 0.04196 0.33353 1.00000
Se16 Se 0.90902 0.54050 0.82672 1.00000
Se17 Se 0.23249 0.87245 0.48761 1.00000
Se18 Se 0.56613 0.20729 0.15465 1.00000
Se19 Se 0.08220 0.72354 0.17600 1.00000
Se20 Se 0.41120 0.04958 0.84444 1.00000
Se21 Se 0.74488 0.38507 0.51204 1.00000
Se22 Se 0.25935 0.36209 0.99522 1.00000
Se23 Se 0.59062 0.69279 0.66650 1.00000
Se24 Se 0.92517 0.02945 0.33453 1.00000
