Ce8TcPt5
Alexandria ALEXAlex-ID: agm006097752 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
Ce6Tc2Pt Ce CePt
2023-08-11 08:47:35.270078
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006097752).
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
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# CIF generated by HEAS from Alexandria entry agm006097752
data_agm006097752
_cell_length_a 7.62962
_cell_length_b 7.62962
_cell_length_c 7.62962
_cell_angle_alpha 110.00145
_cell_angle_beta 108.41588
_cell_angle_gamma 110.00146
_cell_volume 341.80294
_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 0.12695 0.73721 0.98940 1.00000
Ce2 Ce 0.01060 0.13755 0.74781 1.00000
Ce3 Ce 0.75465 0.25563 0.38059 1.00000
Ce4 Ce 0.61941 0.37407 0.87505 1.00000
Ce5 Ce 0.50098 0.62593 0.24535 1.00000
Ce6 Ce 0.61026 0.86245 0.87305 1.00000
Ce7 Ce 0.25219 0.26279 0.38974 1.00000
Ce8 Ce 0.12495 0.74437 0.49902 1.00000
Tc1 Tc 0.25000 0.50000 0.75000 1.00000
Pt1 Pt 0.99003 0.36520 0.11983 1.00000
Pt2 Pt 0.88017 0.87021 0.24537 1.00000
Pt3 Pt 0.75463 0.63480 0.62484 1.00000
Pt4 Pt 0.50000 0.00000 0.50000 1.00000
Pt5 Pt 0.37516 0.12979 0.00997 1.00000
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