Mg4NbV3C8
Alexandria ALEXAlex-ID: agm050855581 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_63_spg12
V6C5 Nb6C5 Mg C
2024-10-22 04:45:20.027990
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050855581).
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 agm050855581
data_agm050855581
_cell_length_a 6.26642
_cell_length_b 6.26642
_cell_length_c 6.26642
_cell_angle_alpha 59.16985
_cell_angle_beta 59.16985
_cell_angle_gamma 59.16985
_cell_volume 170.70608
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.00000 0.50000 0.50000 1.00000
Mg3 Mg 0.50000 0.00000 0.50000 1.00000
Mg4 Mg 0.50000 0.50000 0.00000 1.00000
Nb1 Nb 0.50000 0.50000 0.50000 1.00000
V1 V 0.00000 0.50000 0.00000 1.00000
V2 V 0.00000 0.00000 0.50000 1.00000
V3 V 0.50000 0.00000 0.00000 1.00000
C1 C 0.74533 0.74533 0.22866 1.00000
C2 C 0.74533 0.22866 0.74533 1.00000
C3 C 0.76269 0.76269 0.76269 1.00000
C4 C 0.22866 0.74533 0.74533 1.00000
C5 C 0.77134 0.25467 0.25467 1.00000
C6 C 0.23731 0.23731 0.23731 1.00000
C7 C 0.25467 0.77134 0.25467 1.00000
C8 C 0.25467 0.25467 0.77134 1.00000
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