La(Pr3In)2
Alexandria ALEXAlex-ID: agm005676197 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_643_spg12
LaPr5In2 Pr
2023-07-07 13:18:00.387609
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676197).
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 agm005676197
data_agm005676197
_cell_length_a 4.96433
_cell_length_b 6.22120
_cell_length_c 10.74171
_cell_angle_alpha 73.81125
_cell_angle_beta 76.63951
_cell_angle_gamma 66.48528
_cell_volume 289.41882
_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 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.67065 0.54784 0.11086 1.00000
Pr2 Pr 0.32935 0.45216 0.88914 1.00000
Pr3 Pr 0.32823 0.79267 0.55087 1.00000
Pr4 Pr 0.00985 0.65604 0.32426 1.00000
Pr5 Pr 0.99015 0.34396 0.67574 1.00000
Pr6 Pr 0.67177 0.20733 0.44913 1.00000
In1 In 0.33695 0.10653 0.21958 1.00000
In2 In 0.66305 0.89347 0.78042 1.00000
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