Nd3Y2Er5
Alexandria ALEXAlex-ID: agm005604875 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_281_spg15
Nd2Er7 NdYEr NdEr2
2023-06-25 16:52:10.727037
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604875).
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 agm005604875
data_agm005604875
_cell_length_a 9.48419
_cell_length_b 9.46380
_cell_length_c 11.12720
_cell_angle_alpha 125.44131
_cell_angle_beta 125.48225
_cell_angle_gamma 68.72812
_cell_volume 662.06022
_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 0.23290 0.98290 0.96579 1.00000
Nd2 Nd 0.76710 0.01710 0.03421 1.00000
Nd3 Nd 0.72951 0.47574 0.25248 1.00000
Nd4 Nd 0.27049 0.52426 0.74752 1.00000
Nd5 Nd 0.02296 0.77674 0.25247 1.00000
Nd6 Nd 0.97704 0.22326 0.74753 1.00000
Y1 Y 0.76800 0.01528 0.73580 1.00000
Y2 Y 0.23200 0.98472 0.26420 1.00000
Y3 Y 0.46779 0.72051 0.73580 1.00000
Y4 Y 0.53221 0.27949 0.26420 1.00000
Er1 Er 0.27070 0.52070 0.04139 1.00000
Er2 Er 0.72930 0.47931 0.95861 1.00000
Er3 Er 0.02520 0.77520 0.55040 1.00000
Er4 Er 0.52876 0.27876 0.55752 1.00000
Er5 Er 0.97480 0.22480 0.44960 1.00000
Er6 Er 0.47124 0.72124 0.44248 1.00000
Er7 Er 0.85659 0.60688 0.72699 1.00000
Er8 Er 0.14341 0.39312 0.27301 1.00000
Er9 Er 0.37040 0.12011 0.72700 1.00000
Er10 Er 0.62960 0.87989 0.27300 1.00000
Get direct link