NdSmTm5
Alexandria ALEXAlex-ID: agm005757569 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_370_spg15
NdSmTm4 Nd2Tm7 SmTm15
2023-07-14 14:37:02.618146
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757569).
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 agm005757569
data_agm005757569
_cell_length_a 6.70183
_cell_length_b 6.70184
_cell_length_c 13.72385
_cell_angle_alpha 61.15009
_cell_angle_beta 61.15010
_cell_angle_gamma 61.18583
_cell_volume 447.25710
_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
Nd1 Nd 0.72620 0.27380 0.75000 1.00000
Nd2 Nd 0.27380 0.72620 0.25000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Tm1 Tm 0.17586 0.38946 0.74603 1.00000
Tm2 Tm 0.63801 0.70095 0.50226 1.00000
Tm3 Tm 0.38946 0.17586 0.24603 1.00000
Tm4 Tm 0.16153 0.83847 0.75000 1.00000
Tm5 Tm 0.29905 0.36199 0.99774 1.00000
Tm6 Tm 0.70095 0.63801 0.00226 1.00000
Tm7 Tm 0.83847 0.16153 0.25000 1.00000
Tm8 Tm 0.61054 0.82414 0.75397 1.00000
Tm9 Tm 0.36199 0.29905 0.49774 1.00000
Tm10 Tm 0.82414 0.61054 0.25397 1.00000
Get direct link