Pr3(CrIn)4
Alexandria ALEXAlex-ID: agm009963124 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
Pr3In5 Cr PrIn
2024-07-01 23:14:38.822583
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009963124).
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 agm009963124
data_agm009963124
_cell_length_a 15.33111
_cell_length_b 15.33111
_cell_length_c 15.33111
_cell_angle_alpha 165.74145
_cell_angle_beta 161.83524
_cell_angle_gamma 23.16757
_cell_volume 276.63156
_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 0.14504 0.64504 0.50000 1.00000
Pr2 Pr 0.85496 0.35496 0.50000 1.00000
Pr3 Pr 0.50000 0.50000 0.00000 1.00000
Cr1 Cr 0.04794 0.04794 0.00000 1.00000
Cr2 Cr 0.95206 0.95206 0.00000 1.00000
Cr3 Cr 0.31228 0.81228 0.50000 1.00000
Cr4 Cr 0.68772 0.18772 0.50000 1.00000
In1 In 0.59555 0.09555 0.50000 1.00000
In2 In 0.75923 0.75923 0.00000 1.00000
In3 In 0.24077 0.24077 0.00000 1.00000
In4 In 0.40445 0.90445 0.50000 1.00000
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