Nd7Ho12Tl
Alexandria ALEXAlex-ID: agm005807785 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_103_spg2
NdHo2 Nd2Ho7 Nd5Tl3
2023-07-16 12:01:16.822401
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807785).
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 agm005807785
data_agm005807785
_cell_length_a 11.23120
_cell_length_b 9.43623
_cell_length_c 6.17789
_cell_angle_alpha 89.91780
_cell_angle_beta 100.24293
_cell_angle_gamma 83.09112
_cell_volume 639.44576
_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 0.09991 0.69801 0.70420 1.00000
Nd2 Nd 0.44546 0.14720 0.65144 1.00000
Nd3 Nd 0.24835 0.75503 0.25230 1.00000
Nd4 Nd 0.50000 0.50000 0.50000 1.00000
Nd5 Nd 0.75165 0.24497 0.74770 1.00000
Nd6 Nd 0.55454 0.85280 0.34856 1.00000
Nd7 Nd 0.90009 0.30199 0.29580 1.00000
Ho1 Ho 0.04980 0.34781 0.85011 1.00000
Ho2 Ho 0.59694 0.19926 0.19907 1.00000
Ho3 Ho 0.29238 0.10125 0.10014 1.00000
Ho4 Ho 0.80240 0.59683 0.59432 1.00000
Ho5 Ho 0.14543 0.05015 0.55578 1.00000
Ho6 Ho 0.65291 0.55137 0.04763 1.00000
Ho7 Ho 0.34709 0.44863 0.95237 1.00000
Ho8 Ho 0.85457 0.94985 0.44422 1.00000
Ho9 Ho 0.19760 0.40317 0.40568 1.00000
Ho10 Ho 0.70762 0.89875 0.89986 1.00000
Ho11 Ho 0.40306 0.80074 0.80093 1.00000
Ho12 Ho 0.95020 0.65219 0.14989 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
