La4Nd
Alexandria ALEXAlex-ID: agm017808348 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_1762_spg15
La2Nd La5Nd
2025-02-27 10:31:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017808348).
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 agm017808348
data_agm017808348
_cell_length_a 9.84357
_cell_length_b 9.84357
_cell_length_c 6.45128
_cell_angle_alpha 83.85267
_cell_angle_beta 96.14733
_cell_angle_gamma 37.97092
_cell_volume 363.16880
_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 0.65009 0.65009 0.25000 1.00000
La2 La 0.34991 0.34991 0.75000 1.00000
La3 La 0.44994 0.44994 0.25000 1.00000
La4 La 0.14993 0.14993 0.75000 1.00000
La5 La 0.75008 0.75008 0.75000 1.00000
La6 La 0.24992 0.24992 0.25000 1.00000
La7 La 0.85007 0.85007 0.25000 1.00000
La8 La 0.55006 0.55006 0.75000 1.00000
Nd1 Nd 0.95042 0.95042 0.75000 1.00000
Nd2 Nd 0.04958 0.04958 0.25000 1.00000
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