La9Nd2
Alexandria ALEXAlex-ID: agm025008568 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B9_93_spg12
La2Nd La5Nd
2025-02-27 11:25:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025008568).
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
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# CIF generated by HEAS from Alexandria entry agm025008568
data_agm025008568
_cell_length_a 12.32376
_cell_length_b 12.32376
_cell_length_c 9.07201
_cell_angle_alpha 75.86601
_cell_angle_beta 104.13399
_cell_angle_gamma 162.62171
_cell_volume 398.77044
_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 0.31798 0.68202 0.04530 1.00000
La2 La 0.68202 0.31798 0.95470 1.00000
La3 La 0.40889 0.59111 0.77169 1.00000
La4 La 0.50000 0.50000 0.50000 1.00000
La5 La 0.59111 0.40889 0.22831 1.00000
La6 La 0.86344 0.13656 0.40792 1.00000
La7 La 0.04565 0.95435 0.86356 1.00000
La8 La 0.13656 0.86344 0.59208 1.00000
La9 La 0.95435 0.04565 0.13644 1.00000
Nd1 Nd 0.22759 0.77241 0.31894 1.00000
Nd2 Nd 0.77241 0.22759 0.68106 1.00000
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