PrIn3Cu
Alexandria ALEXAlex-ID: agm005807405 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4_spg107
PrIn3 Cu
2023-07-03 17:05:09.370448
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807405).
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 agm005807405
data_agm005807405
_cell_length_a 4.54592
_cell_length_b 4.54472
_cell_length_c 6.66757
_cell_angle_alpha 70.01072
_cell_angle_beta 70.00497
_cell_angle_gamma 89.98470
_cell_volume 120.58463
_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
Pr1 Pr 0.40077 0.20427 0.90451 1.00000
In1 In 0.63851 0.94166 0.42844 1.00000
In2 In 0.13828 0.44215 0.42821 1.00000
In3 In 0.80769 0.61118 0.09018 1.00000
Cu1 Cu 0.02251 0.82592 0.65980 1.00000
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