Ca5PrCd6
Alexandria ALEXAlex-ID: agm063912876 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Ca3PrCd4 CaCd
2024-11-01 15:04:46.284171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063912876).
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 agm063912876
data_agm063912876
_cell_length_a 9.42852
_cell_length_b 9.42852
_cell_length_c 9.42852
_cell_angle_alpha 146.43620
_cell_angle_beta 131.85144
_cell_angle_gamma 59.96875
_cell_volume 342.02319
_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 0.16754 0.66754 0.50000 1.00000
Ca2 Ca 0.33426 0.33426 0.00000 1.00000
Ca3 Ca 0.50000 0.00000 0.50000 1.00000
Ca4 Ca 0.66574 0.66574 0.00000 1.00000
Ca5 Ca 0.83246 0.33246 0.50000 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.08152 0.83300 0.24852 1.00000
Cd2 Cd 0.58448 0.83300 0.75148 1.00000
Cd3 Cd 0.24796 0.50000 0.74796 1.00000
Cd4 Cd 0.75204 0.50000 0.25204 1.00000
Cd5 Cd 0.41552 0.16700 0.24852 1.00000
Cd6 Cd 0.91848 0.16700 0.75148 1.00000
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