La6Pr2In
Alexandria ALEXAlex-ID: agm005646837 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1975_spg15
LaPr La2Pr La3In
2023-07-08 07:42:58.903368
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646837).
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 agm005646837
data_agm005646837
_cell_length_a 11.69125
_cell_length_b 6.54531
_cell_length_c 11.69143
_cell_angle_alpha 106.33582
_cell_angle_beta 47.52677
_cell_angle_gamma 106.33664
_cell_volume 627.95943
_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 0.35079 0.56488 0.49618 1.00000
La2 La 0.50380 0.93511 0.64922 1.00000
La3 La 0.64921 0.43512 0.50382 1.00000
La4 La 0.49620 0.06489 0.35078 1.00000
La5 La 0.08261 0.08341 0.58383 1.00000
La6 La 0.41617 0.41659 0.91740 1.00000
La7 La 0.91739 0.91659 0.41617 1.00000
La8 La 0.58383 0.58341 0.08260 1.00000
La9 La 0.14915 0.71922 0.00396 1.00000
La10 La 0.99607 0.78078 0.85084 1.00000
La11 La 0.85085 0.28078 0.99604 1.00000
La12 La 0.00393 0.21922 0.14916 1.00000
Pr1 Pr 0.17427 0.58887 0.32649 1.00000
Pr2 Pr 0.67351 0.91113 0.82573 1.00000
Pr3 Pr 0.82573 0.41113 0.67351 1.00000
Pr4 Pr 0.32649 0.08887 0.17427 1.00000
In1 In 0.74998 0.74999 0.25002 1.00000
In2 In 0.25002 0.25001 0.74998 1.00000
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