La5(PrNd2)2
Alexandria ALEXAlex-ID: agm005644692 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_218_spg12
La2Pr La3PrNd4
2023-06-22 01:19:53.303953
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644692).
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 agm005644692
data_agm005644692
_cell_length_a 6.08538
_cell_length_b 6.47784
_cell_length_c 10.66043
_cell_angle_alpha 95.96829
_cell_angle_beta 106.58399
_cell_angle_gamma 89.99997
_cell_volume 400.37735
_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 0.78571 0.60349 0.57143 1.00000
La2 La 0.21429 0.39651 0.42857 1.00000
La3 La 0.87728 0.14898 0.75457 1.00000
La4 La 0.50000 0.00000 0.00000 1.00000
La5 La 0.12272 0.85102 0.24543 1.00000
Pr1 Pr 0.40225 0.46817 0.80450 1.00000
Pr2 Pr 0.59775 0.53183 0.19550 1.00000
Nd1 Nd 0.30599 0.93433 0.61198 1.00000
Nd2 Nd 0.95364 0.69351 0.90728 1.00000
Nd3 Nd 0.69401 0.06567 0.38802 1.00000
Nd4 Nd 0.04636 0.30649 0.09272 1.00000
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