NdSm8Tm5
Alexandria ALEXAlex-ID: agm006111807 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
NdSmTm4 SmTm2 Sm
2023-08-11 05:11:05.555523
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111807).
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 agm006111807
data_agm006111807
_cell_length_a 8.49940
_cell_length_b 8.49926
_cell_length_c 8.49940
_cell_angle_alpha 111.61169
_cell_angle_beta 105.27150
_cell_angle_gamma 111.61112
_cell_volume 470.75477
_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 0.25000 0.50000 0.75000 1.00000
Sm1 Sm 0.16291 0.73517 0.07686 1.00000
Sm2 Sm 0.92314 0.08606 0.65832 1.00000
Sm3 Sm 0.72444 0.25577 0.32923 1.00000
Sm4 Sm 0.67077 0.39521 0.92654 1.00000
Sm5 Sm 0.53133 0.60479 0.27556 1.00000
Sm6 Sm 0.57226 0.91394 0.83709 1.00000
Sm7 Sm 0.34168 0.26483 0.42774 1.00000
Sm8 Sm 0.07346 0.74423 0.46867 1.00000
Tm1 Tm 0.03897 0.31589 0.13247 1.00000
Tm2 Tm 0.86753 0.90650 0.18342 1.00000
Tm3 Tm 0.81658 0.68411 0.72308 1.00000
Tm4 Tm 0.50000 0.00000 0.50000 1.00000
Tm5 Tm 0.27692 0.09350 0.96103 1.00000
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