ErPu2Co9
Alexandria ALEXAlex-ID: agm003540552 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_0_spg166
ErPu2Co9
2022-03-18 20:21:34.593762
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003540552).
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 agm003540552
data_agm003540552
_cell_length_a 4.90206
_cell_length_b 4.90206
_cell_length_c 8.63224
_cell_angle_alpha 73.50457
_cell_angle_beta 73.50457
_cell_angle_gamma 60.00000
_cell_volume 169.71330
_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 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.86016 0.86016 0.41951 1.00000
Pu2 Pu 0.13984 0.13984 0.58049 1.00000
Co1 Co 0.66676 0.66676 0.99971 1.00000
Co2 Co 0.33324 0.33324 0.00029 1.00000
Co3 Co 0.50000 0.50000 0.50000 1.00000
Co4 Co 0.41868 0.41868 0.24386 1.00000
Co5 Co 0.91878 0.41868 0.24386 1.00000
Co6 Co 0.41868 0.91878 0.24386 1.00000
Co7 Co 0.58132 0.58132 0.75614 1.00000
Co8 Co 0.58132 0.08122 0.75614 1.00000
Co9 Co 0.08122 0.58132 0.75614 1.00000
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