Nd2Y5Tm12
Alexandria ALEXAlex-ID: agm005654404 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_344_spg2
YTm2 Nd NdTm2
2023-06-26 15:00:36.955577
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654404).
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 agm005654404
data_agm005654404
_cell_length_a 6.11555
_cell_length_b 10.58662
_cell_length_c 12.71852
_cell_angle_alpha 133.80763
_cell_angle_beta 94.68930
_cell_angle_gamma 84.43253
_cell_volume 591.32164
_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 0.58068 0.84316 0.81596 1.00000
Nd2 Nd 0.41932 0.15684 0.18404 1.00000
Y1 Y 0.26271 0.47268 0.55304 1.00000
Y2 Y 0.15941 0.68372 0.13110 1.00000
Y3 Y 0.00000 0.00000 0.50000 1.00000
Y4 Y 0.84059 0.31628 0.86890 1.00000
Y5 Y 0.73729 0.52732 0.44696 1.00000
Tm1 Tm 0.94650 0.10476 0.29006 1.00000
Tm2 Tm 0.10464 0.78793 0.92050 1.00000
Tm3 Tm 0.63217 0.73596 0.02615 1.00000
Tm4 Tm 0.20931 0.57964 0.34105 1.00000
Tm5 Tm 0.68275 0.63261 0.23663 1.00000
Tm6 Tm 0.52434 0.94772 0.60421 1.00000
Tm7 Tm 0.47566 0.05228 0.39579 1.00000
Tm8 Tm 0.79069 0.42036 0.65895 1.00000
Tm9 Tm 0.31725 0.36739 0.76337 1.00000
Tm10 Tm 0.89536 0.21207 0.07950 1.00000
Tm11 Tm 0.36783 0.26404 0.97385 1.00000
Tm12 Tm 0.05350 0.89524 0.70994 1.00000
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