LaPr3(InPd2)4
Alexandria ALEXAlex-ID: agm063137944 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_18_spg12
LaInPd2 PrInPd2
2025-02-28 16:49:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063137944).
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 agm063137944
data_agm063137944
_cell_length_a 18.88713
_cell_length_b 18.88713
_cell_length_c 18.88713
_cell_angle_alpha 14.24196
_cell_angle_beta 14.24196
_cell_angle_gamma 14.24196
_cell_volume 354.96860
_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 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.74963 0.74963 0.74963 1.00000
Pr2 Pr 0.00000 0.00000 0.00000 1.00000
Pr3 Pr 0.25037 0.25037 0.25037 1.00000
In1 In 0.62521 0.62521 0.62521 1.00000
In2 In 0.37479 0.37479 0.37479 1.00000
In3 In 0.87606 0.87606 0.87606 1.00000
In4 In 0.12394 0.12394 0.12394 1.00000
Pd1 Pd 0.94597 0.94597 0.94597 1.00000
Pd2 Pd 0.69556 0.69556 0.69556 1.00000
Pd3 Pd 0.19627 0.19627 0.19627 1.00000
Pd4 Pd 0.44567 0.44567 0.44567 1.00000
Pd5 Pd 0.55433 0.55433 0.55433 1.00000
Pd6 Pd 0.30444 0.30444 0.30444 1.00000
Pd7 Pd 0.80373 0.80373 0.80373 1.00000
Pd8 Pd 0.05403 0.05403 0.05403 1.00000
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