V3P
Alexandria ALEXAlex-ID: agm003296649 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_242_spg82
V3P
2022-01-17 10:11:54.009310
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003296649).
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 agm003296649
data_agm003296649
_cell_length_a 4.72189
_cell_length_b 7.02701
_cell_length_c 7.02701
_cell_angle_alpha 83.51844
_cell_angle_beta 70.36777
_cell_angle_gamma 70.36777
_cell_volume 206.84109
_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 0.35663 0.98732 0.82422 1.00000
V2 V 0.16818 0.01268 0.17578 1.00000
V3 V 0.81915 0.82422 0.01268 1.00000
V4 V 0.65604 0.17578 0.98732 1.00000
V5 V 0.52435 0.34125 0.63150 1.00000
V6 V 0.49710 0.65875 0.36850 1.00000
V7 V 0.84415 0.63150 0.65875 1.00000
V8 V 0.13441 0.36850 0.34125 1.00000
V9 V 0.96254 0.97442 0.58887 1.00000
V10 V 0.52582 0.02558 0.41113 1.00000
V11 V 0.44859 0.58887 0.02558 1.00000
V12 V 0.06304 0.41113 0.97442 1.00000
P1 P 0.03679 0.26466 0.68439 1.00000
P2 P 0.98584 0.73534 0.31561 1.00000
P3 P 0.27882 0.68439 0.73534 1.00000
P4 P 0.69856 0.31561 0.26466 1.00000
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