CeSm2Tc
Alexandria ALEXAlex-ID: agm069525614 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
CeSm2Tc
2025-03-02 06:40:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069525614).
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 agm069525614
data_agm069525614
_cell_length_a 6.39616
_cell_length_b 9.76237
_cell_length_c 14.63942
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 914.10991
_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 0.56113 0.00000 0.89731 1.00000
Ce2 Ce 0.06113 0.50000 0.10269 1.00000
Ce3 Ce 0.43964 0.50000 0.60269 1.00000
Ce4 Ce 0.93964 0.00000 0.39731 1.00000
Ce5 Ce 0.74436 0.00000 0.15212 1.00000
Ce6 Ce 0.24436 0.50000 0.84788 1.00000
Ce7 Ce 0.25645 0.50000 0.34789 1.00000
Ce8 Ce 0.75645 0.00000 0.65211 1.00000
Sm1 Sm 0.07538 0.81943 0.96591 1.00000
Sm2 Sm 0.57538 0.68057 0.03409 1.00000
Sm3 Sm 0.92539 0.31942 0.53410 1.00000
Sm4 Sm 0.42539 0.18058 0.46590 1.00000
Sm5 Sm 0.92539 0.68058 0.53410 1.00000
Sm6 Sm 0.42539 0.81942 0.46590 1.00000
Sm7 Sm 0.07538 0.18057 0.96591 1.00000
Sm8 Sm 0.57538 0.31943 0.03409 1.00000
Sm9 Sm 0.76198 0.31966 0.78714 1.00000
Sm10 Sm 0.26198 0.18034 0.21286 1.00000
Sm11 Sm 0.23876 0.81965 0.71289 1.00000
Sm12 Sm 0.73876 0.68035 0.28711 1.00000
Sm13 Sm 0.23876 0.18035 0.71289 1.00000
Sm14 Sm 0.73876 0.31965 0.28711 1.00000
Sm15 Sm 0.76198 0.68034 0.78714 1.00000
Sm16 Sm 0.26198 0.81966 0.21286 1.00000
Tc1 Tc 0.42123 0.00000 0.05042 1.00000
Tc2 Tc 0.92123 0.50000 0.94958 1.00000
Tc3 Tc 0.57959 0.50000 0.44959 1.00000
Tc4 Tc 0.07959 0.00000 0.55041 1.00000
Tc5 Tc 0.89432 0.00000 0.81075 1.00000
Tc6 Tc 0.39432 0.50000 0.18925 1.00000
Tc7 Tc 0.10643 0.50000 0.68925 1.00000
Tc8 Tc 0.60643 0.00000 0.31075 1.00000
