Pm3NdEr8
Alexandria ALEXAlex-ID: agm005958321 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_277_spg71
Pm2NdEr6 PmEr2
2023-09-08 14:10:19.870023
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005958321).
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 agm005958321
data_agm005958321
_cell_length_a 8.64409
_cell_length_b 8.64409
_cell_length_c 8.64409
_cell_angle_alpha 97.49971
_cell_angle_beta 136.53807
_cell_angle_gamma 98.25895
_cell_volume 412.70231
_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
Pm1 Pm 0.50000 0.74901 0.24901 1.00000
Pm2 Pm 0.50000 0.25099 0.75099 1.00000
Pm3 Pm 1.00000 0.50000 0.50000 1.00000
Nd1 Nd 1.00000 0.00000 1.00000 1.00000
Er1 Er 0.50048 0.25087 0.24974 1.00000
Er2 Er 0.49952 0.74926 0.75039 1.00000
Er3 Er 0.99887 0.74913 0.24961 1.00000
Er4 Er 0.00113 0.25074 0.75026 1.00000
Er5 Er 0.17089 0.42108 0.25008 1.00000
Er6 Er 0.82911 0.07920 0.25019 1.00000
Er7 Er 0.82900 0.57892 0.74981 1.00000
Er8 Er 0.17100 0.92080 0.74992 1.00000
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