Ac2Nd4Er5
Alexandria ALEXAlex-ID: agm005647723 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_770_spg10
NdEr2 Ac3NdEr2 Nd
2023-06-22 07:58:21.197001
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647723).
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 agm005647723
data_agm005647723
_cell_length_a 3.67075
_cell_length_b 8.67619
_cell_length_c 14.29082
_cell_angle_alpha 88.07801
_cell_angle_beta 120.94999
_cell_angle_gamma 89.99821
_cell_volume 390.03374
_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
Ac1 Ac 0.66266 0.73197 0.83069 1.00000
Ac2 Ac 0.33734 0.26803 0.16931 1.00000
Nd1 Nd 0.95001 0.20624 0.47500 1.00000
Nd2 Nd 0.25128 0.68093 0.12629 1.00000
Nd3 Nd 0.04999 0.79376 0.52500 1.00000
Nd4 Nd 0.74872 0.31907 0.87371 1.00000
Er1 Er 0.78159 0.46639 0.64047 1.00000
Er2 Er 0.21841 0.53361 0.35953 1.00000
Er3 Er 0.91441 0.06310 0.70691 1.00000
Er4 Er 0.50000 0.00000 0.00000 1.00000
Er5 Er 0.08559 0.93690 0.29309 1.00000
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