V3B6C11
Alexandria ALEXAlex-ID: agm070938477 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B6C11_29_spg6
VB2 C
2024-07-18 23:16:52.546974
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070938477).
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 agm070938477
data_agm070938477
_cell_length_a 6.15130
_cell_length_b 8.16175
_cell_length_c 7.56518
_cell_angle_alpha 115.82525
_cell_angle_beta 90.00063
_cell_angle_gamma 89.99889
_cell_volume 341.87952
_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 0.04709 0.14943 0.40921 1.00000
V2 V 0.04713 0.77162 0.30523 1.00000
V3 V 0.54711 0.34282 0.40651 1.00000
V4 V 0.54709 0.35128 0.78902 1.00000
V5 V 0.54715 0.73630 0.25689 1.00000
V6 V 0.04712 0.01245 0.87371 1.00000
B1 B 0.79288 0.83834 0.56581 1.00000
B2 B 0.30521 0.08312 0.14084 1.00000
B3 B 0.79129 0.37641 0.08965 1.00000
B4 B 0.30024 0.55543 0.66005 1.00000
B5 B 0.80706 0.71331 0.04251 1.00000
B6 B 0.27934 0.19140 0.66646 1.00000
B7 B 0.78917 0.08313 0.14085 1.00000
B8 B 0.30146 0.83833 0.56580 1.00000
B9 B 0.79412 0.55543 0.66005 1.00000
B10 B 0.30309 0.37642 0.08965 1.00000
B11 B 0.81498 0.19144 0.66651 1.00000
B12 B 0.28730 0.71332 0.04251 1.00000
C1 C 0.93012 0.68838 0.58779 1.00000
C2 C 0.16120 0.24729 0.15934 1.00000
C3 C 0.93194 0.27916 0.87866 1.00000
C4 C 0.15651 0.59735 0.85006 1.00000
C5 C 0.92607 0.91619 0.12448 1.00000
C6 C 0.16242 0.99865 0.57189 1.00000
C7 C 0.93320 0.24730 0.15936 1.00000
C8 C 0.16424 0.68838 0.58780 1.00000
C9 C 0.93785 0.59735 0.85005 1.00000
C10 C 0.16244 0.27915 0.87865 1.00000
C11 C 0.93190 0.99866 0.57190 1.00000
C12 C 0.16830 0.91619 0.12447 1.00000
C13 C 0.79396 0.32528 0.56001 1.00000
C14 C 0.28619 0.59687 0.18090 1.00000
C15 C 0.80814 0.59686 0.18089 1.00000
C16 C 0.30031 0.32526 0.56000 1.00000
C17 C 0.54717 0.90209 0.57931 1.00000
C18 C 0.54719 0.13131 0.11486 1.00000
C19 C 0.54719 0.29485 0.07859 1.00000
C20 C 0.54718 0.61708 0.75501 1.00000
C21 C 0.54718 0.70020 0.96182 1.00000
C22 C 0.54716 0.09530 0.66242 1.00000
