Ce6TcSn2N
Alexandria ALEXAlex-ID: agm004929331 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
Ce6Tc2Sn CeTc2 Ce3SnN Ce5Sn4
2022-07-29 04:13:26.934618
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004929331).
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 agm004929331
data_agm004929331
_cell_length_a 7.19967
_cell_length_b 7.19951
_cell_length_c 7.19798
_cell_angle_alpha 59.99972
_cell_angle_beta 59.99877
_cell_angle_gamma 89.99938
_cell_volume 263.81741
_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 0.23645 0.23645 0.52717 1.00000
Ce2 Ce 0.76363 0.76349 0.00008 1.00000
Ce3 Ce 0.23651 0.76364 0.00000 1.00000
Ce4 Ce 0.76349 0.23636 1.00000 1.00000
Ce5 Ce 0.23637 0.23650 0.99993 1.00000
Ce6 Ce 0.76355 0.76355 0.47283 1.00000
Tc1 Tc 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.75004 0.25002 0.49994 1.00000
Sn2 Sn 0.24996 0.74999 0.50005 1.00000
N1 N 1.00000 1.00000 0.00000 1.00000
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