Tb4Nd2Er3
Alexandria ALEXAlex-ID: agm003333472 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_295_spg15
Tb2NdEr6 Tb4NdEr Tb5Nd3
2022-01-29 22:58:21.040441
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333472).
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 agm003333472
data_agm003333472
_cell_length_a 6.15642
_cell_length_b 11.26727
_cell_length_c 11.26726
_cell_angle_alpha 62.25245
_cell_angle_beta 61.97710
_cell_angle_gamma 61.97711
_cell_volume 578.20303
_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 0.41999 0.90689 0.18749 1.00000
Tb2 Tb 0.08001 0.81251 0.09311 1.00000
Tb3 Tb 0.58001 0.09311 0.81251 1.00000
Tb4 Tb 0.91999 0.18749 0.90689 1.00000
Tb5 Tb 0.08320 0.14535 0.42367 1.00000
Tb6 Tb 0.41680 0.57633 0.85465 1.00000
Tb7 Tb 0.91680 0.85465 0.57633 1.00000
Tb8 Tb 0.58320 0.42367 0.14535 1.00000
Nd1 Nd 0.42123 0.23435 0.52341 1.00000
Nd2 Nd 0.07877 0.47659 0.76565 1.00000
Nd3 Nd 0.57877 0.76565 0.47659 1.00000
Nd4 Nd 0.92123 0.52341 0.23435 1.00000
Er1 Er 0.76093 0.06706 0.26352 1.00000
Er2 Er 0.73907 0.73648 0.93294 1.00000
Er3 Er 0.23907 0.93294 0.73648 1.00000
Er4 Er 0.26093 0.26352 0.06706 1.00000
Er5 Er 0.25000 0.59882 0.40118 1.00000
Er6 Er 0.75000 0.40118 0.59882 1.00000
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