Ce5ThGe5
Alexandria ALEXAlex-ID: agm003672572 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C5_17_spg5
Ce5Ge4 ThGe
2023-03-25 19:24:29.908585
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672572).
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 agm003672572
data_agm003672572
_cell_length_a 5.99434
_cell_length_b 7.31315
_cell_length_c 8.46114
_cell_angle_alpha 106.63422
_cell_angle_beta 90.00000
_cell_angle_gamma 114.19431
_cell_volume 321.24160
_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 0.66518 0.33036 0.33300 1.00000
Ce2 Ce 0.66861 0.33722 0.83641 1.00000
Ce3 Ce 0.00000 0.00000 0.50000 1.00000
Ce4 Ce 0.33139 0.66278 0.16359 1.00000
Ce5 Ce 0.33482 0.66964 0.66700 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.83171 0.66341 0.17264 1.00000
Ge2 Ge 0.83216 0.66432 0.66032 1.00000
Ge3 Ge 0.50000 0.00000 0.00000 1.00000
Ge4 Ge 0.16784 0.33568 0.33968 1.00000
Ge5 Ge 0.16829 0.33659 0.82736 1.00000
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