Nd4Y4Tm3
Alexandria ALEXAlex-ID: agm003377792 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
NdY2 YTm2 Nd
2022-02-09 07:58:26.693792
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003377792).
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 agm003377792
data_agm003377792
_cell_length_a 3.54178
_cell_length_b 5.64181
_cell_length_c 18.26574
_cell_angle_alpha 81.13409
_cell_angle_beta 84.42700
_cell_angle_gamma 90.00162
_cell_volume 358.87987
_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 0.54591 0.54681 0.90824 1.00000
Nd2 Nd 0.45411 0.45321 0.09178 1.00000
Nd3 Nd 0.32031 0.82039 0.35871 1.00000
Nd4 Nd 0.67972 0.17964 0.64127 1.00000
Y1 Y 0.59077 0.09129 0.81913 1.00000
Y2 Y 0.26750 0.26731 0.46526 1.00000
Y3 Y 0.73254 0.73273 0.53471 1.00000
Y4 Y 0.40926 0.90873 0.18088 1.00000
Tm1 Tm 0.13692 0.63699 0.72672 1.00000
Tm2 Tm 0.86310 0.36303 0.27328 1.00000
Tm3 Tm 0.00000 0.00000 0.00002 1.00000
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