Nd2Ho5Th2
Alexandria ALEXAlex-ID: agm005565623 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_540_spg12
Ho2Th Nd NdHo2
2023-06-03 01:24:34.273450
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005565623).
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 agm005565623
data_agm005565623
_cell_length_a 3.47917
_cell_length_b 8.08274
_cell_length_c 12.87358
_cell_angle_alpha 119.40267
_cell_angle_beta 97.76597
_cell_angle_gamma 90.00009
_cell_volume 311.57206
_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
Nd1 Nd 0.82366 0.79516 0.64731 1.00000
Nd2 Nd 0.17634 0.20484 0.35269 1.00000
Ho1 Ho 0.69217 0.83968 0.38434 1.00000
Ho2 Ho 0.30783 0.16032 0.61566 1.00000
Ho3 Ho 0.90920 0.54626 0.81839 1.00000
Ho4 Ho 0.09080 0.45374 0.18161 1.00000
Ho5 Ho 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.55190 0.75059 0.10381 1.00000
Th2 Th 0.44810 0.24941 0.89619 1.00000
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