Tb7NdEr4
Alexandria ALEXAlex-ID: agm003669952 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Tb2NdEr6 Tb4NdEr Tb5Er4
2022-04-20 12:34:57.933650
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669952).
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 agm003669952
data_agm003669952
_cell_length_a 5.87927
_cell_length_b 11.51490
_cell_length_c 6.68875
_cell_angle_alpha 83.10438
_cell_angle_beta 63.92869
_cell_angle_gamma 75.20925
_cell_volume 393.25382
_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 0.78947 0.92165 0.49941 1.00000
Tb2 Tb 0.21053 0.07835 0.50059 1.00000
Tb3 Tb 0.05860 0.67040 0.21240 1.00000
Tb4 Tb 0.94140 0.32960 0.78760 1.00000
Tb5 Tb 0.36668 0.50368 0.76295 1.00000
Tb6 Tb 0.50000 0.00000 0.00000 1.00000
Tb7 Tb 0.63332 0.49632 0.23705 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.63290 0.22532 0.50887 1.00000
Er2 Er 0.36710 0.77468 0.49113 1.00000
Er3 Er 0.74848 0.68439 0.81866 1.00000
Er4 Er 0.25152 0.31561 0.18134 1.00000
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