NdAl6Fe7
Alexandria ALEXAlex-ID: agm024036474 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C7_22_spg72
AlFe4 NdAl2 Nd(AlFe)6
2024-10-26 09:10:57.003452
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024036474).
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 agm024036474
data_agm024036474
_cell_length_a 8.29992
_cell_length_b 8.29992
_cell_length_c 8.29992
_cell_angle_alpha 121.35721
_cell_angle_beta 118.60435
_cell_angle_gamma 90.04982
_cell_volume 404.12801
_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
Nd1 Nd 0.25000 0.75000 0.50000 1.00000
Nd2 Nd 0.75000 0.25000 0.50000 1.00000
Al1 Al 0.94685 0.68710 0.63395 1.00000
Al2 Al 0.05315 0.31290 0.36605 1.00000
Al3 Al 0.44685 0.81290 0.25975 1.00000
Al4 Al 0.55315 0.18710 0.74025 1.00000
Al5 Al 0.18587 0.18717 0.63164 1.00000
Al6 Al 0.81413 0.81283 0.36836 1.00000
Al7 Al 0.55552 0.55423 0.36836 1.00000
Al8 Al 0.94448 0.31283 0.99871 1.00000
Al9 Al 0.44448 0.44577 0.63164 1.00000
Al10 Al 0.05552 0.68717 0.00129 1.00000
Al11 Al 0.31413 0.94577 0.00129 1.00000
Al12 Al 0.68587 0.05423 0.99871 1.00000
Fe1 Fe 0.72534 0.93271 0.65806 1.00000
Fe2 Fe 0.27466 0.06729 0.34194 1.00000
Fe3 Fe 0.22534 0.56729 0.79263 1.00000
Fe4 Fe 0.77466 0.43271 0.20737 1.00000
Fe5 Fe 0.06822 0.06524 0.78620 1.00000
Fe6 Fe 0.93178 0.93476 0.21380 1.00000
Fe7 Fe 0.27904 0.28202 0.21380 1.00000
Fe8 Fe 0.22096 0.43476 0.00298 1.00000
Fe9 Fe 0.72096 0.71798 0.78620 1.00000
Fe10 Fe 0.77904 0.56524 0.99702 1.00000
Fe11 Fe 0.43178 0.21798 0.99702 1.00000
Fe12 Fe 0.56822 0.78202 0.00298 1.00000
Fe13 Fe 0.00000 0.00000 0.00000 1.00000
Fe14 Fe 0.50000 0.50000 0.00000 1.00000
