Nb2VCrC4
Alexandria ALEXAlex-ID: agm048028958 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_272_spg15
Nb6C5 V6C5 C Cr3C2
2024-10-15 09:28:55.857635
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048028958).
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 agm048028958
data_agm048028958
_cell_length_a 6.13354
_cell_length_b 6.13354
_cell_length_c 6.13354
_cell_angle_alpha 119.38872
_cell_angle_beta 120.44996
_cell_angle_gamma 90.14221
_cell_volume 163.34281
_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
Nb1 Nb 0.00000 0.50000 0.00000 1.00000
Nb2 Nb 0.00000 0.00000 0.50000 1.00000
Nb3 Nb 0.00000 0.50000 0.50000 1.00000
Nb4 Nb 0.50000 0.50000 0.00000 1.00000
V1 V 0.50000 0.00000 0.50000 1.00000
V2 V 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.50000 0.00000 0.00000 1.00000
Cr2 Cr 0.50000 0.50000 0.50000 1.00000
C1 C 0.74302 0.75582 0.98720 1.00000
C2 C 0.26862 0.75582 0.51280 1.00000
C3 C 0.73138 0.24418 0.48720 1.00000
C4 C 0.25698 0.24418 0.01280 1.00000
C5 C 0.74413 0.23245 0.98832 1.00000
C6 C 0.74413 0.75581 0.51168 1.00000
C7 C 0.25587 0.24419 0.48832 1.00000
C8 C 0.25587 0.76755 0.01168 1.00000
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