Pr3Cd7Au4
Alexandria ALEXAlex-ID: agm005697752 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
PrCd11 PrCdAu PrCdAu2
2023-06-29 16:26:20.376827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697752).
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 agm005697752
data_agm005697752
_cell_length_a 4.57253
_cell_length_b 8.81845
_cell_length_c 9.32015
_cell_angle_alpha 69.12929
_cell_angle_beta 75.80022
_cell_angle_gamma 74.97387
_cell_volume 334.24211
_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 0.30137 0.19267 0.20458 1.00000
Pr2 Pr 0.69863 0.80733 0.79542 1.00000
Pr3 Pr 0.00000 0.50000 0.50000 1.00000
Cd1 Cd 0.32579 0.83264 0.51577 1.00000
Cd2 Cd 0.49269 0.20639 0.80822 1.00000
Cd3 Cd 0.84477 0.37972 0.93074 1.00000
Cd4 Cd 0.67421 0.16736 0.48423 1.00000
Cd5 Cd 0.15523 0.62028 0.06926 1.00000
Cd6 Cd 0.00000 0.00000 0.00000 1.00000
Cd7 Cd 0.50731 0.79361 0.19178 1.00000
Au1 Au 0.65759 0.45123 0.23358 1.00000
Au2 Au 0.34241 0.54877 0.76642 1.00000
Au3 Au 0.87810 0.91292 0.33089 1.00000
Au4 Au 0.12190 0.08708 0.66911 1.00000
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