Ca5Pr5(Ge5Ir2)4
Alexandria ALEXAlex-ID: agm019366201 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B5C8D20_1_spg38
Ca5(Ge5Ir2)2 Pr2Ge5Ir3 PrGe3Ir CaGe
2025-01-20 14:24:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019366201).
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 agm019366201
data_agm019366201
_cell_length_a 13.16457
_cell_length_b 4.49064
_cell_length_c 13.16421
_cell_angle_alpha 90.00000
_cell_angle_beta 90.19248
_cell_angle_gamma 90.00000
_cell_volume 778.22889
_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 0.38579 0.00000 0.38578 1.00000
Ca2 Ca 0.11598 0.00000 0.88459 1.00000
Ca3 Ca 0.88459 0.00000 0.11599 1.00000
Ca4 Ca 0.99983 0.50000 0.50019 1.00000
Ca5 Ca 0.50018 0.50000 0.99983 1.00000
Pr1 Pr 0.82537 0.00000 0.82539 1.00000
Pr2 Pr 0.17530 0.00000 0.17528 1.00000
Pr3 Pr 0.32226 0.00000 0.67384 1.00000
Pr4 Pr 0.67386 0.00000 0.32228 1.00000
Pr5 Pr 0.61531 0.00000 0.61531 1.00000
Ge1 Ge 0.93271 0.50000 0.93273 1.00000
Ge2 Ge 0.06810 0.50000 0.06810 1.00000
Ge3 Ge 0.43190 0.50000 0.56879 1.00000
Ge4 Ge 0.56881 0.50000 0.43191 1.00000
Ge5 Ge 0.83973 0.50000 0.30157 1.00000
Ge6 Ge 0.16011 0.50000 0.69949 1.00000
Ge7 Ge 0.33956 0.50000 0.19867 1.00000
Ge8 Ge 0.66162 0.50000 0.80115 1.00000
Ge9 Ge 0.19868 0.50000 0.33954 1.00000
Ge10 Ge 0.80114 0.50000 0.66164 1.00000
Ge11 Ge 0.30156 0.50000 0.83970 1.00000
Ge12 Ge 0.69950 0.50000 0.16014 1.00000
Ge13 Ge 0.84425 0.00000 0.49537 1.00000
Ge14 Ge 0.15537 0.00000 0.50132 1.00000
Ge15 Ge 0.34314 0.00000 0.00272 1.00000
Ge16 Ge 0.65665 0.00000 0.99812 1.00000
Ge17 Ge 0.00276 0.00000 0.34315 1.00000
Ge18 Ge 0.99808 0.00000 0.65665 1.00000
Ge19 Ge 0.49533 0.00000 0.84425 1.00000
Ge20 Ge 0.50138 0.00000 0.15537 1.00000
Ir1 Ir 0.75629 0.50000 0.47962 1.00000
Ir2 Ir 0.24408 0.50000 0.52064 1.00000
Ir3 Ir 0.25496 0.50000 0.02098 1.00000
Ir4 Ir 0.74547 0.50000 0.97911 1.00000
Ir5 Ir 0.02099 0.50000 0.25496 1.00000
Ir6 Ir 0.97910 0.50000 0.74548 1.00000
Ir7 Ir 0.47961 0.50000 0.75628 1.00000
Ir8 Ir 0.52065 0.50000 0.24408 1.00000
