NdSm6Tm5
Alexandria ALEXAlex-ID: agm006118546 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_51_spg65
NdSmTm4 SmTm2 Sm
2023-09-17 22:39:12.488981
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118546).
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 agm006118546
data_agm006118546
_cell_length_a 5.06095
_cell_length_b 8.00223
_cell_length_c 10.07369
_cell_angle_alpha 90.00136
_cell_angle_beta 90.00430
_cell_angle_gamma 71.56544
_cell_volume 387.03802
_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
Tm1 Tm 0.33341 0.33318 0.50000 1.00000
Tm2 Tm 0.66812 0.66375 0.00000 1.00000
Tm3 Tm 0.00000 0.00000 0.50000 1.00000
Tm4 Tm 0.33188 0.33625 1.00000 1.00000
Tm5 Tm 0.66659 0.66682 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.16695 0.66599 0.25182 1.00000
Sm2 Sm 0.16706 0.66599 0.74818 1.00000
Sm3 Sm 0.49984 0.00000 0.74751 1.00000
Sm4 Sm 0.50016 1.00000 0.25249 1.00000
Sm5 Sm 0.83294 0.33401 0.25182 1.00000
Sm6 Sm 0.83305 0.33401 0.74818 1.00000
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