Pr2Al3Cd
Alexandria ALEXAlex-ID: agm014126350 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_15_spg166
PrCd2 PrAl2
2025-04-13 14:51:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014126350).
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 agm014126350
data_agm014126350
_cell_length_a 6.06169
_cell_length_b 6.06169
_cell_length_c 6.06169
_cell_angle_alpha 134.45077
_cell_angle_beta 101.57928
_cell_angle_gamma 95.68045
_cell_volume 146.33850
_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 0.24841 0.49985 0.74856 1.00000
Pr2 Pr 0.75130 0.49985 0.25144 1.00000
Al1 Al 0.82644 0.82644 0.00000 1.00000
Al2 Al 0.34092 0.84092 0.50000 1.00000
Al3 Al 0.66638 0.16638 0.50000 1.00000
Cd1 Cd 0.16641 0.16641 0.00000 1.00000
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