Nd3Tm8Sc3
Alexandria ALEXAlex-ID: agm005691131 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_60_spg71
Nd2Tm7 NdTm2 Sc
2023-06-29 11:10:57.055720
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691131).
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
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# CIF generated by HEAS from Alexandria entry agm005691131
data_agm005691131
_cell_length_a 5.39914
_cell_length_b 10.17042
_cell_length_c 10.17042
_cell_angle_alpha 55.81942
_cell_angle_beta 74.60721
_cell_angle_gamma 74.60721
_cell_volume 440.67439
_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 0.50000 0.00000 0.00000 1.00000
Nd2 Nd 0.00000 0.73883 0.26117 1.00000
Nd3 Nd 1.00000 0.26117 0.73883 1.00000
Tm1 Tm 0.62483 0.12128 0.62906 1.00000
Tm2 Tm 0.37517 0.87872 0.37094 1.00000
Tm3 Tm 0.62483 0.62906 0.12128 1.00000
Tm4 Tm 0.37517 0.37094 0.87872 1.00000
Tm5 Tm 0.79806 0.86047 0.54341 1.00000
Tm6 Tm 0.20194 0.13953 0.45659 1.00000
Tm7 Tm 0.79806 0.54341 0.86047 1.00000
Tm8 Tm 0.20194 0.45659 0.13953 1.00000
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
Sc2 Sc 0.82833 0.17166 0.17166 1.00000
Sc3 Sc 0.17167 0.82834 0.82834 1.00000
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