La2(PrIn)5
Alexandria ALEXAlex-ID: agm005667449 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
LaPr5In2 La4PrIn3 PrIn
2023-06-19 02:11:14.028866
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667449).
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 agm005667449
data_agm005667449
_cell_length_a 4.54963
_cell_length_b 10.71230
_cell_length_c 8.26089
_cell_angle_alpha 99.95462
_cell_angle_beta 74.01584
_cell_angle_gamma 77.73959
_cell_volume 366.56927
_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 0.33495 0.50625 0.82384 1.00000
La2 La 0.66505 0.49375 0.17616 1.00000
Pr1 Pr 0.67986 0.24455 0.39573 1.00000
Pr2 Pr 0.00610 0.23512 0.75267 1.00000
Pr3 Pr 0.99390 0.76488 0.24733 1.00000
Pr4 Pr 0.32014 0.75545 0.60427 1.00000
Pr5 Pr 0.00000 0.00000 0.00000 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.66242 0.74585 0.92930 1.00000
In3 In 0.32280 0.00261 0.35179 1.00000
In4 In 0.67720 0.99739 0.64821 1.00000
In5 In 0.33758 0.25415 0.07070 1.00000
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