NdSm(DyTm2)2
Alexandria ALEXAlex-ID: agm004866089 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_346_spg74
Nd6SmTm2 SmDy5 NdSm3Dy4 DyTm5
2023-02-07 22:30:16.974383
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004866089).
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 agm004866089
data_agm004866089
_cell_length_a 9.46147
_cell_length_b 9.46146
_cell_length_c 11.72060
_cell_angle_alpha 128.27101
_cell_angle_beta 128.27105
_cell_angle_gamma 88.65580
_cell_volume 524.79903
_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 0.00000 0.50000 0.00001 1.00000
Nd2 Nd 1.00000 0.50000 0.49999 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.99999 0.00000 1.00000 1.00000
Dy1 Dy 0.50000 0.00000 0.00000 1.00000
Dy2 Dy 0.50000 0.00000 0.50000 1.00000
Dy3 Dy 0.00000 0.00000 0.50000 1.00000
Dy4 Dy 0.50000 0.50000 1.00000 1.00000
Tm1 Tm 0.25283 0.74921 0.00087 1.00000
Tm2 Tm 0.75079 0.24717 0.49913 1.00000
Tm3 Tm 0.24921 0.75282 0.50087 1.00000
Tm4 Tm 0.74718 0.25079 0.99913 1.00000
Tm5 Tm 0.74846 0.75100 0.00167 1.00000
Tm6 Tm 0.74899 0.75154 0.49834 1.00000
Tm7 Tm 0.25100 0.24847 0.50166 1.00000
Tm8 Tm 0.25154 0.24900 0.99834 1.00000
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