TbEr6Pu
Alexandria ALEXAlex-ID: agm005809163 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_41_spg38
TbEr8 TbEr2 Pu
2023-07-25 05:31:21.972864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809163).
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 agm005809163
data_agm005809163
_cell_length_a 5.60698
_cell_length_b 7.08789
_cell_length_c 7.08756
_cell_angle_alpha 120.00153
_cell_angle_beta 89.99998
_cell_angle_gamma 89.99999
_cell_volume 243.93068
_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
Tb1 Tb 0.99999 0.83051 0.66103 1.00000
Er1 Er 0.00000 0.83056 0.16833 1.00000
Er2 Er 0.00000 0.33777 0.16833 1.00000
Er3 Er 0.00001 0.33356 0.66712 1.00000
Er4 Er 0.50000 0.66826 0.83493 1.00000
Er5 Er 0.50000 0.16667 0.83493 1.00000
Er6 Er 0.50001 0.16633 0.33265 1.00000
Pu1 Pu 0.50000 0.66634 0.33268 1.00000
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