Nd2Er5Th2
Alexandria ALEXAlex-ID: agm005565613 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_540_spg12
Er2Th Nd NdEr2
2023-06-03 01:50:50.718831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565613).
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 agm005565613
data_agm005565613
_cell_length_a 3.47315
_cell_length_b 8.08475
_cell_length_c 12.82188
_cell_angle_alpha 119.56290
_cell_angle_beta 97.78384
_cell_angle_gamma 90.00017
_cell_volume 309.34186
_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 0.82341 0.79425 0.64682 1.00000
Nd2 Nd 0.17659 0.20575 0.35318 1.00000
Er1 Er 0.69213 0.84071 0.38426 1.00000
Er2 Er 0.30787 0.15929 0.61574 1.00000
Er3 Er 0.90900 0.54500 0.81800 1.00000
Er4 Er 0.09100 0.45500 0.18200 1.00000
Er5 Er 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.55177 0.75154 0.10354 1.00000
Th2 Th 0.44823 0.24846 0.89646 1.00000
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