V12P5C2
Alexandria ALEXAlex-ID: agm003370693 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_37_spg12
V18P9C2 V3P V2C
2022-02-06 14:26:06.882052
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370693).
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 agm003370693
data_agm003370693
_cell_length_a 6.01730
_cell_length_b 7.08602
_cell_length_c 6.83214
_cell_angle_alpha 104.60118
_cell_angle_beta 90.00000
_cell_angle_gamma 115.12469
_cell_volume 253.32146
_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 0.00192 0.00384 0.17801 1.00000
V2 V 0.08149 0.68071 0.91219 1.00000
V3 V 0.59922 0.68071 0.91219 1.00000
V4 V 0.11275 0.72258 0.44077 1.00000
V5 V 0.60983 0.72258 0.44077 1.00000
V6 V 0.49408 0.98815 0.78596 1.00000
V7 V 0.50592 0.01185 0.21404 1.00000
V8 V 0.88725 0.27742 0.55923 1.00000
V9 V 0.39017 0.27742 0.55923 1.00000
V10 V 0.91851 0.31929 0.08781 1.00000
V11 V 0.40078 0.31929 0.08781 1.00000
V12 V 0.99808 0.99616 0.82199 1.00000
P1 P 0.28954 0.57908 0.63900 1.00000
P2 P 0.30970 0.61940 0.16102 1.00000
P3 P 0.00000 0.00000 0.50000 1.00000
P4 P 0.69030 0.38060 0.83898 1.00000
P5 P 0.71046 0.42092 0.36100 1.00000
C1 C 0.73045 1.00000 0.00000 1.00000
C2 C 0.26955 0.00000 0.00000 1.00000
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