Ce5Sm5(Ge5Ir2)4
Alexandria ALEXAlex-ID: agm019469948 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B5C8D20_0_spg38
SmGe2Ir CeGe2Ir Sm3Ge5 CeGe3
2024-11-10 01:00:39.567744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019469948).
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 agm019469948
data_agm019469948
_cell_length_a 13.13219
_cell_length_b 13.13219
_cell_length_c 4.41656
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.96355
_cell_volume 761.65531
_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
Ce1 Ce 0.38547 0.61453 0.00000 1.00000
Ce2 Ce 0.88559 0.88566 0.00000 1.00000
Ce3 Ce 0.11434 0.11441 0.00000 1.00000
Ce4 Ce 0.50012 0.99999 0.50000 1.00000
Ce5 Ce 0.00001 0.49988 0.50000 1.00000
Sm1 Sm 0.82597 0.17403 0.00000 1.00000
Sm2 Sm 0.17379 0.82621 0.00000 1.00000
Sm3 Sm 0.67425 0.67376 0.00000 1.00000
Sm4 Sm 0.32624 0.32575 0.00000 1.00000
Sm5 Sm 0.61485 0.38515 0.00000 1.00000
Ge1 Ge 0.93282 0.06718 0.50000 1.00000
Ge2 Ge 0.06698 0.93302 0.50000 1.00000
Ge3 Ge 0.56735 0.56705 0.50000 1.00000
Ge4 Ge 0.43295 0.43265 0.50000 1.00000
Ge5 Ge 0.30042 0.16381 0.50000 1.00000
Ge6 Ge 0.69945 0.83604 0.50000 1.00000
Ge7 Ge 0.19935 0.66389 0.50000 1.00000
Ge8 Ge 0.80050 0.33663 0.50000 1.00000
Ge9 Ge 0.33611 0.80065 0.50000 1.00000
Ge10 Ge 0.66337 0.19950 0.50000 1.00000
Ge11 Ge 0.83619 0.69958 0.50000 1.00000
Ge12 Ge 0.16396 0.30055 0.50000 1.00000
Ge13 Ge 0.49828 0.15824 0.00000 1.00000
Ge14 Ge 0.50211 0.84172 0.00000 1.00000
Ge15 Ge 0.00169 0.65846 0.00000 1.00000
Ge16 Ge 0.99773 0.34169 0.00000 1.00000
Ge17 Ge 0.34154 0.99831 0.00000 1.00000
Ge18 Ge 0.65831 0.00227 0.00000 1.00000
Ge19 Ge 0.84176 0.50172 0.00000 1.00000
Ge20 Ge 0.15828 0.49789 0.00000 1.00000
Ir1 Ir 0.47986 0.24435 0.50000 1.00000
Ir2 Ir 0.51966 0.75507 0.50000 1.00000
Ir3 Ir 0.01957 0.74489 0.50000 1.00000
Ir4 Ir 0.98061 0.25519 0.50000 1.00000
Ir5 Ir 0.25511 0.98043 0.50000 1.00000
Ir6 Ir 0.74481 0.01939 0.50000 1.00000
Ir7 Ir 0.75565 0.52014 0.50000 1.00000
Ir8 Ir 0.24493 0.48034 0.50000 1.00000
