TbNd2Ho5Th
Alexandria ALEXAlex-ID: agm005166129 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_204_spg36
TbNdHo4 Ho2Th Nd2Ho7 Tb2Nd3Ho
2023-01-16 13:24:51.285564
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005166129).
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
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# CIF generated by HEAS from Alexandria entry agm005166129
data_agm005166129
_cell_length_a 5.61919
_cell_length_b 10.38684
_cell_length_c 10.70219
_cell_angle_alpha 89.99762
_cell_angle_beta 89.99971
_cell_angle_gamma 105.71855
_cell_volume 601.28144
_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 0.79940 0.59970 0.50976 1.00000
Tb2 Tb 0.20062 0.40034 0.00972 1.00000
Nd1 Nd 0.88504 0.76996 0.81945 1.00000
Nd2 Nd 0.11545 0.23060 0.73300 1.00000
Nd3 Nd 0.11493 0.22998 0.31933 1.00000
Nd4 Nd 0.88457 0.76944 0.23292 1.00000
Ho1 Ho 0.39214 0.78451 0.02263 1.00000
Ho2 Ho 0.72048 0.44038 0.81384 1.00000
Ho3 Ho 0.47834 0.95652 0.73674 1.00000
Ho4 Ho 0.29991 0.59981 0.70876 1.00000
Ho5 Ho 0.98428 0.96859 0.52625 1.00000
Ho6 Ho 0.60775 0.21525 0.52277 1.00000
Ho7 Ho 0.27960 0.55977 0.31362 1.00000
Ho8 Ho 0.52158 0.04332 0.23651 1.00000
Ho9 Ho 0.70016 0.40032 0.20854 1.00000
Ho10 Ho 0.01569 0.03136 0.02603 1.00000
Th1 Th 0.58376 0.16732 0.95398 1.00000
Th2 Th 0.41630 0.83283 0.45407 1.00000
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