Ca3V2CrN6
Alexandria ALEXAlex-ID: agm047297936 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Ca2CrN3 VN Ca2VN3
2024-08-08 02:51:10.316583
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047297936).
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 agm047297936
data_agm047297936
_cell_length_a 7.54156
_cell_length_b 7.54156
_cell_length_c 6.40803
_cell_angle_alpha 76.94082
_cell_angle_beta 76.94082
_cell_angle_gamma 23.16807
_cell_volume 139.52188
_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 0.17335 0.17335 0.19362 1.00000
Ca3 Ca 0.82665 0.82665 0.80638 1.00000
V1 V 0.13538 0.13538 0.70797 1.00000
V2 V 0.86462 0.86462 0.29203 1.00000
Cr1 Cr 0.50000 0.50000 0.00000 1.00000
N1 N 0.65184 0.65184 0.91250 1.00000
N2 N 0.34263 0.34263 0.50750 1.00000
N3 N 0.34816 0.34816 0.08750 1.00000
N4 N 0.99412 0.99412 0.22060 1.00000
N5 N 0.00588 0.00588 0.77940 1.00000
N6 N 0.65737 0.65737 0.49250 1.00000
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