Ca2Pr4Cd
Alexandria ALEXAlex-ID: agm017685229 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_937_spg65
Ca2Cd Pr
2025-04-30 18:34:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017685229).
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 agm017685229
data_agm017685229
_cell_length_a 17.89771
_cell_length_b 17.89771
_cell_length_c 17.89771
_cell_angle_alpha 167.94385
_cell_angle_beta 167.94385
_cell_angle_gamma 17.08172
_cell_volume 250.10244
_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 0.70888 0.70888 0.00000 1.00000
Ca2 Ca 0.29112 0.29112 0.00000 1.00000
Pr1 Pr 0.55951 0.55951 1.00000 1.00000
Pr2 Pr 0.44049 0.44049 0.00000 1.00000
Pr3 Pr 0.86941 0.86941 0.00000 1.00000
Pr4 Pr 0.13059 0.13059 0.00000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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