La5NdP6
Alexandria ALEXAlex-ID: agm034239335 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
La5NdP6
2024-12-11 21:54:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034239335).
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 agm034239335
data_agm034239335
_cell_length_a 9.52420
_cell_length_b 9.52420
_cell_length_c 8.51976
_cell_angle_alpha 77.07765
_cell_angle_beta 102.92235
_cell_angle_gamma 154.15958
_cell_volume 327.86418
_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 0.50000 0.50000 0.50000 1.00000
La2 La 0.83354 0.16646 0.16610 1.00000
La3 La 0.16646 0.83354 0.83390 1.00000
La4 La 0.83391 0.16609 0.66773 1.00000
La5 La 0.16609 0.83391 0.33227 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
P1 P 0.33465 0.66535 0.91752 1.00000
P2 P 0.66653 0.33347 0.58335 1.00000
P3 P 0.66535 0.33465 0.08248 1.00000
P4 P 0.99987 0.00013 0.24682 1.00000
P5 P 0.00013 0.99987 0.75318 1.00000
P6 P 0.33347 0.66653 0.41665 1.00000
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