CaPr2NdIn4
Alexandria ALEXAlex-ID: agm021998625 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_349_spg166
Ca2PrIn3 Pr2NdIn3 Ca2NdIn3
2025-02-27 02:51:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021998625).
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
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# CIF generated by HEAS from Alexandria entry agm021998625
data_agm021998625
_cell_length_a 9.57427
_cell_length_b 9.57427
_cell_length_c 9.57427
_cell_angle_alpha 33.25918
_cell_angle_beta 33.25918
_cell_angle_gamma 33.25918
_cell_volume 235.00993
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.25354 0.25354 0.25354 1.00000
Pr2 Pr 0.74646 0.74646 0.74646 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
In1 In 0.87418 0.87418 0.87418 1.00000
In2 In 0.62395 0.62395 0.62395 1.00000
In3 In 0.12582 0.12582 0.12582 1.00000
In4 In 0.37605 0.37605 0.37605 1.00000
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