Ac8NdEr2
Alexandria ALEXAlex-ID: agm005877121 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_276_spg12
Ac Ac3NdEr2
2023-09-27 21:52:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877121).
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 agm005877121
data_agm005877121
_cell_length_a 6.21622
_cell_length_b 9.10851
_cell_length_c 9.10851
_cell_angle_alpha 84.66009
_cell_angle_beta 80.44301
_cell_angle_gamma 80.44301
_cell_volume 500.37292
_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 0.81051 0.14304 0.63432 1.00000
Ac2 Ac 0.18949 0.36568 0.85696 1.00000
Ac3 Ac 0.49412 0.14338 0.14338 1.00000
Ac4 Ac 0.50588 0.85662 0.85662 1.00000
Ac5 Ac 0.81051 0.63432 0.14304 1.00000
Ac6 Ac 0.18949 0.85696 0.36568 1.00000
Ac7 Ac 0.29315 0.42021 0.42021 1.00000
Ac8 Ac 0.70685 0.57979 0.57979 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.92120 0.26134 0.26134 1.00000
Er2 Er 0.07880 0.73866 0.73866 1.00000
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