Pr(Er2Ni)4
Alexandria ALEXAlex-ID: agm097963600 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_786_spg8
Er3Ni ErNi Pr
2025-06-17 10:16:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097963600).
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 agm097963600
data_agm097963600
_cell_length_a 3.57503
_cell_length_b 9.83201
_cell_length_c 10.20739
_cell_angle_alpha 66.47927
_cell_angle_beta 90.01950
_cell_angle_gamma 89.97350
_cell_volume 328.97723
_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
Pr1 Pr 0.38422 0.97075 0.97355 1.00000
Er1 Er 0.38465 0.11119 0.32432 1.00000
Er2 Er 0.88476 0.64135 0.95247 1.00000
Er3 Er 0.38581 0.62343 0.61824 1.00000
Er4 Er 0.88363 0.24689 0.65811 1.00000
Er5 Er 0.88462 0.80781 0.28634 1.00000
Er6 Er 0.38522 0.47910 0.29483 1.00000
Er7 Er 0.38411 0.32952 0.95837 1.00000
Er8 Er 0.38454 0.92661 0.68172 1.00000
Ni1 Ni 0.88430 0.11273 0.10320 1.00000
Ni2 Ni 0.88417 0.35181 0.16122 1.00000
Ni3 Ni 0.88550 0.52641 0.47485 1.00000
Ni4 Ni 0.88447 0.87239 0.51278 1.00000
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