Nd3Y8Tm
Alexandria ALEXAlex-ID: agm017667983 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_427_spg8
Y5Tm NdY2 YTm2
2025-03-02 05:37:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017667983).
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 agm017667983
data_agm017667983
_cell_length_a 8.92097
_cell_length_b 3.62465
_cell_length_c 12.53342
_cell_angle_alpha 90.00000
_cell_angle_beta 103.50410
_cell_angle_gamma 90.00000
_cell_volume 394.06848
_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 0.00581 0.00000 0.12816 1.00000
Nd2 Nd 0.66684 0.00000 0.73534 1.00000
Nd3 Nd 0.00672 0.50000 0.87534 1.00000
Y1 Y 0.33879 0.00000 0.01683 1.00000
Y2 Y 0.00165 0.50000 0.37583 1.00000
Y3 Y 0.66523 0.00000 0.23727 1.00000
Y4 Y 0.66573 0.50000 0.48407 1.00000
Y5 Y 0.33562 0.00000 0.51135 1.00000
Y6 Y 0.33565 0.50000 0.76301 1.00000
Y7 Y 0.66752 0.50000 0.98805 1.00000
Y8 Y 0.00345 0.00000 0.62281 1.00000
Tm1 Tm 0.33733 0.50000 0.26537 1.00000
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