CeNdEr4
Alexandria ALEXAlex-ID: agm005776385 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1622_spg10
NdEr8 Nd2Er7 Ce
2023-07-27 21:27:48.823148
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776385).
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 agm005776385
data_agm005776385
_cell_length_a 3.53138
_cell_length_b 8.64327
_cell_length_c 6.14415
_cell_angle_alpha 90.04700
_cell_angle_beta 89.99493
_cell_angle_gamma 89.99554
_cell_volume 187.53551
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.50000 0.00000 0.50000 1.00000
Er1 Er 0.99984 0.33744 0.32978 1.00000
Er2 Er 0.00016 0.66256 0.67022 1.00000
Er3 Er 0.49992 0.33295 0.83609 1.00000
Er4 Er 0.50008 0.66705 0.16391 1.00000
