Tb8(PmEr)3
Alexandria ALEXAlex-ID: agm005694580 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
Pm2Er7 Tb5Er4 Tb5Pm3
2023-06-29 11:50:32.877603
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694580).
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 agm005694580
data_agm005694580
_cell_length_a 5.64869
_cell_length_b 9.66002
_cell_length_c 9.66002
_cell_angle_alpha 101.70174
_cell_angle_beta 73.01261
_cell_angle_gamma 73.01262
_cell_volume 457.56426
_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 0.65936 0.11917 0.56152 1.00000
Tb2 Tb 0.34064 0.88083 0.43848 1.00000
Tb3 Tb 0.65936 0.56152 0.11917 1.00000
Tb4 Tb 0.34064 0.43848 0.88083 1.00000
Tb5 Tb 0.84154 0.76154 0.55591 1.00000
Tb6 Tb 0.15846 0.23846 0.44409 1.00000
Tb7 Tb 0.84154 0.55591 0.76154 1.00000
Tb8 Tb 0.15846 0.44409 0.23846 1.00000
Pm1 Pm 0.50000 0.00000 0.00000 1.00000
Pm2 Pm 0.00000 0.81873 0.18127 1.00000
Pm3 Pm 1.00000 0.18127 0.81873 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.79617 0.20396 0.20396 1.00000
Er3 Er 0.20383 0.79604 0.79604 1.00000
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