La3Nd3Al22
Alexandria ALEXAlex-ID: agm003236409 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C22_0_spg8
La3Nd3Al22
2021-12-12 18:38:58.607962
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003236409).
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 agm003236409
data_agm003236409
_cell_length_a 8.50759
_cell_length_b 8.50759
_cell_length_c 16.51204
_cell_angle_alpha 75.82159
_cell_angle_beta 75.82159
_cell_angle_gamma 30.19694
_cell_volume 581.45116
_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
La1 La 0.65732 0.65732 0.65791 1.00000
La2 La 0.15804 0.15804 0.15804 1.00000
La3 La 0.84257 0.84257 0.84188 1.00000
Nd1 Nd 0.34154 0.34154 0.34169 1.00000
Nd2 Nd 0.99998 0.99998 0.00062 1.00000
Nd3 Nd 0.49979 0.49979 0.49907 1.00000
Al1 Al 0.35194 0.35194 0.98447 1.00000
Al2 Al 0.85239 0.85239 0.48265 1.00000
Al3 Al 0.14740 0.14740 0.51634 1.00000
Al4 Al 0.64838 0.64838 0.01613 1.00000
Al5 Al 0.48358 0.48358 0.85155 1.00000
Al6 Al 0.98317 0.98317 0.35074 1.00000
Al7 Al 0.01586 0.01586 0.64890 1.00000
Al8 Al 0.51686 0.51686 0.14890 1.00000
Al9 Al 0.85629 0.85629 0.64245 1.00000
Al10 Al 0.35695 0.35695 0.14428 1.00000
Al11 Al 0.64355 0.64355 0.85677 1.00000
Al12 Al 0.14343 0.14343 0.35709 1.00000
Al13 Al 0.24992 0.24992 0.74996 1.00000
Al14 Al 0.75047 0.75047 0.25045 1.00000
Al15 Al 0.20500 0.20500 0.93136 1.00000
Al16 Al 0.70529 0.70529 0.43185 1.00000
Al17 Al 0.29469 0.29469 0.56749 1.00000
Al18 Al 0.79548 0.79548 0.06915 1.00000
Al19 Al 0.43060 0.43060 0.70403 1.00000
Al20 Al 0.93109 0.93109 0.20485 1.00000
Al21 Al 0.06909 0.06909 0.79591 1.00000
Al22 Al 0.56936 0.56936 0.29546 1.00000
