Ac8(TbNd)3
Alexandria ALEXAlex-ID: agm005692371 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_44_spg12
Tb5Nd3 Ac Nd
2023-06-29 10:51:13.981163
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692371).
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 agm005692371
data_agm005692371
_cell_length_a 6.34278
_cell_length_b 9.70759
_cell_length_c 9.70759
_cell_angle_alpha 89.69744
_cell_angle_beta 79.63474
_cell_angle_gamma 79.63475
_cell_volume 578.15068
_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
Ac1 Ac 0.55942 0.10801 0.63244 1.00000
Ac2 Ac 0.44058 0.89199 0.36756 1.00000
Ac3 Ac 0.55942 0.63244 0.10801 1.00000
Ac4 Ac 0.44058 0.36756 0.89199 1.00000
Ac5 Ac 0.93814 0.77830 0.51848 1.00000
Ac6 Ac 0.06186 0.22170 0.48152 1.00000
Ac7 Ac 0.93814 0.51848 0.77830 1.00000
Ac8 Ac 0.06186 0.48152 0.22170 1.00000
Tb1 Tb 0.50000 0.00000 0.00000 1.00000
Tb2 Tb 0.00000 0.86750 0.13250 1.00000
Tb3 Tb 1.00000 0.13250 0.86750 1.00000
Nd1 Nd 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.65380 0.22811 0.22811 1.00000
Nd3 Nd 0.34620 0.77189 0.77189 1.00000
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