Ca3V2SnN6
Alexandria ALEXAlex-ID: agm034301663 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Ca2VN3 VN SnN
2024-10-22 13:38:43.296287
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034301663).
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 agm034301663
data_agm034301663
_cell_length_a 7.42278
_cell_length_b 7.42278
_cell_length_c 6.56113
_cell_angle_alpha 75.14164
_cell_angle_beta 75.14164
_cell_angle_gamma 24.47760
_cell_volume 144.53592
_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
Ca1 Ca 0.50000 0.50000 0.50000 1.00000
Ca2 Ca 0.16589 0.16589 0.15896 1.00000
Ca3 Ca 0.83411 0.83411 0.84104 1.00000
V1 V 0.18130 0.18130 0.65301 1.00000
V2 V 0.81870 0.81870 0.34699 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
N1 N 0.66705 0.66705 0.87208 1.00000
N2 N 0.32005 0.32005 0.56360 1.00000
N3 N 0.33295 0.33295 0.12792 1.00000
N4 N 0.99151 0.99151 0.23570 1.00000
N5 N 0.00849 0.00849 0.76430 1.00000
N6 N 0.67995 0.67995 0.43640 1.00000
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