Er5In2Pb
Alexandria ALEXAlex-ID: agm003472079 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_62_spg140
Er2In Er5Pb3 Er3In2
2022-02-20 20:03:08.567543
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003472079).
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 agm003472079
data_agm003472079
_cell_length_a 8.27366
_cell_length_b 8.27366
_cell_length_c 8.80350
_cell_angle_alpha 118.02826
_cell_angle_beta 118.02826
_cell_angle_gamma 90.00000
_cell_volume 450.31196
_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 0.50324 0.69456 0.69780 1.00000
Er2 Er 0.80544 0.99676 0.30220 1.00000
Er3 Er 0.00000 0.00000 0.00000 1.00000
Er4 Er 0.50000 0.50000 0.00000 1.00000
Er5 Er 0.19456 0.00324 0.69780 1.00000
Er6 Er 0.69456 0.19456 0.69780 1.00000
Er7 Er 0.00324 0.50324 0.69780 1.00000
Er8 Er 0.30544 0.80544 0.30220 1.00000
Er9 Er 0.99676 0.49676 0.30220 1.00000
Er10 Er 0.49676 0.30544 0.30220 1.00000
In1 In 0.14188 0.35812 1.00000 1.00000
In2 In 0.64188 0.14188 0.00000 1.00000
In3 In 0.35812 0.85812 1.00000 1.00000
In4 In 0.85812 0.64188 0.00000 1.00000
Pb1 Pb 0.75000 0.75000 0.50000 1.00000
Pb2 Pb 0.25000 0.25000 0.50000 1.00000
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