Nd5SmTm6
Alexandria ALEXAlex-ID: agm006118549 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
NdSmTm4 Nd2Tm7 Nd6SmTm2
2023-09-02 05:04:47.234073
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118549).
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 agm006118549
data_agm006118549
_cell_length_a 5.10231
_cell_length_b 9.97607
_cell_length_c 9.47041
_cell_angle_alpha 121.77491
_cell_angle_beta 105.61430
_cell_angle_gamma 90.02410
_cell_volume 388.68670
_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 0.83351 0.58376 0.66687 1.00000
Tm2 Tm 0.83336 0.08311 0.66687 1.00000
Tm3 Tm 0.50018 0.75058 1.00000 1.00000
Tm4 Tm 0.49982 0.24942 0.00000 1.00000
Tm5 Tm 0.16664 0.91689 0.33313 1.00000
Tm6 Tm 0.16649 0.41624 0.33313 1.00000
Nd1 Nd 0.66611 0.16611 0.33222 1.00000
Nd2 Nd 0.33341 0.33341 0.66681 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Nd4 Nd 0.66659 0.66659 0.33319 1.00000
Nd5 Nd 0.33389 0.83389 0.66778 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
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