Er5Pb4N
Alexandria ALEXAlex-ID: agm003661003 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_223_spg107
ErPb ErN
2022-04-07 15:53:04.033378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661003).
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
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# CIF generated by HEAS from Alexandria entry agm003661003
data_agm003661003
_cell_length_a 6.13997
_cell_length_b 7.27863
_cell_length_c 7.27863
_cell_angle_alpha 79.75263
_cell_angle_beta 65.05298
_cell_angle_gamma 65.05298
_cell_volume 267.41823
_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
Er1 Er 0.88900 0.33837 0.88208 1.00000
Er2 Er 0.22737 0.88208 0.66163 1.00000
Er3 Er 0.77109 0.11792 0.33837 1.00000
Er4 Er 0.10945 0.66163 0.11792 1.00000
Er5 Er 0.43358 0.00000 0.00000 1.00000
Pb1 Pb 0.44385 0.39320 0.73090 1.00000
Pb2 Pb 0.83705 0.73090 0.60680 1.00000
Pb3 Pb 0.17475 0.26910 0.39320 1.00000
Pb4 Pb 0.56795 0.60680 0.26910 1.00000
N1 N 0.05620 0.00000 1.00000 1.00000
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