Tb2NdEr12
Alexandria ALEXAlex-ID: agm005802118 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_73_spg12
Tb2NdEr6 TbEr8 NdEr8
2023-07-17 18:25:29.792325
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802118).
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 agm005802118
data_agm005802118
_cell_length_a 6.56339
_cell_length_b 6.56339
_cell_length_c 24.70691
_cell_angle_alpha 96.64798
_cell_angle_beta 83.35210
_cell_angle_gamma 65.08525
_cell_volume 942.65565
_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 0.54415 0.95586 0.27256 1.00000
Tb2 Tb 0.04612 0.45388 0.27288 1.00000
Tb3 Tb 0.95585 0.54414 0.72744 1.00000
Tb4 Tb 0.45388 0.04612 0.72712 1.00000
Nd1 Nd 0.49991 0.00009 0.99999 1.00000
Nd2 Nd 0.00009 0.49991 0.00001 1.00000
Er1 Er 0.40258 0.59754 0.79759 1.00000
Er2 Er 0.90246 0.09742 0.79759 1.00000
Er3 Er 0.60361 0.89639 0.86164 1.00000
Er4 Er 0.05706 0.94288 0.92425 1.00000
Er5 Er 0.00008 0.99755 0.33154 1.00000
Er6 Er 0.44294 0.55712 0.07575 1.00000
Er7 Er 0.83124 0.16476 0.55461 1.00000
Er8 Er 0.50245 0.49992 0.33154 1.00000
Er9 Er 0.10375 0.39624 0.86165 1.00000
Er10 Er 0.89639 0.60361 0.13836 1.00000
Er11 Er 0.31645 0.18355 0.57449 1.00000
Er12 Er 0.66876 0.33524 0.44539 1.00000
Er13 Er 0.99755 0.00008 0.66846 1.00000
Er14 Er 0.18355 0.31645 0.42551 1.00000
Er15 Er 0.39625 0.10376 0.13835 1.00000
Er16 Er 0.67765 0.82235 0.42820 1.00000
Er17 Er 0.82235 0.67765 0.57180 1.00000
Er18 Er 0.09742 0.90246 0.20241 1.00000
Er19 Er 0.33523 0.66875 0.55461 1.00000
Er20 Er 0.49992 0.50245 0.66846 1.00000
Er21 Er 0.55712 0.44294 0.92425 1.00000
Er22 Er 0.59754 0.40258 0.20241 1.00000
Er23 Er 0.16477 0.83125 0.44539 1.00000
Er24 Er 0.94288 0.05706 0.07575 1.00000
