V4CrSe8
Alexandria ALEXAlex-ID: agm006065751 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_206_spg166
V4CrSe8
2023-08-30 22:15:08.768946
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006065751).
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 agm006065751
data_agm006065751
_cell_length_a 7.02984
_cell_length_b 7.02984
_cell_length_c 7.55869
_cell_angle_alpha 89.99985
_cell_angle_beta 117.71153
_cell_angle_gamma 120.00001
_cell_volume 272.90342
_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 0.00000 0.00000 0.00000 1.00000
V2 V 1.00000 0.50000 1.00000 1.00000
V3 V 0.50000 0.50000 0.00000 1.00000
V4 V 0.50000 0.00000 0.00000 1.00000
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.49042 0.74521 0.23563 1.00000
Se2 Se 0.50958 0.25479 0.76437 1.00000
Se3 Se 0.49608 0.24804 0.24155 1.00000
Se4 Se 0.00649 0.25453 0.75845 1.00000
Se5 Se 0.50392 0.75196 0.75845 1.00000
Se6 Se 0.00649 0.75196 0.75845 1.00000
Se7 Se 0.99351 0.24804 0.24155 1.00000
Se8 Se 0.99351 0.74547 0.24155 1.00000
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