TbNdAs2
Alexandria ALEXAlex-ID: agm079641780 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12427_spg2
NdAs TbAs
2025-03-02 06:25:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079641780).
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 agm079641780
data_agm079641780
_cell_length_a 8.41588
_cell_length_b 8.41721
_cell_length_c 9.40271
_cell_angle_alpha 102.94157
_cell_angle_beta 102.93257
_cell_angle_gamma 90.00213
_cell_volume 631.80302
_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 0.33372 0.58318 0.33375 1.00000
Tb2 Tb 0.66628 0.41682 0.66625 1.00000
Tb3 Tb 0.16699 0.41691 0.66661 1.00000
Tb4 Tb 0.83301 0.58309 0.33339 1.00000
Tb5 Tb 0.66586 0.91589 0.66470 1.00000
Tb6 Tb 0.33414 0.08411 0.33530 1.00000
Nd1 Nd 0.16693 0.91641 0.66652 1.00000
Nd2 Nd 0.83307 0.08359 0.33348 1.00000
Nd3 Nd 0.00049 0.25100 0.00185 1.00000
Nd4 Nd 0.99951 0.74900 0.99815 1.00000
Nd5 Nd 0.49992 0.74938 0.99966 1.00000
Nd6 Nd 0.50008 0.25062 0.00034 1.00000
As1 As 0.91266 0.66252 0.66159 1.00000
As2 As 0.08604 0.83036 0.33314 1.00000
As3 As 0.91396 0.16964 0.66686 1.00000
As4 As 0.08734 0.33748 0.33841 1.00000
As5 As 0.58162 0.33722 0.33739 1.00000
As6 As 0.24999 0.49987 0.99957 1.00000
As7 As 0.75001 0.50013 0.00043 1.00000
As8 As 0.41838 0.66278 0.66261 1.00000
As9 As 0.41852 0.16870 0.66309 1.00000
As10 As 0.74868 0.99875 0.99512 1.00000
As11 As 0.25132 0.00125 0.00488 1.00000
As12 As 0.58148 0.83130 0.33691 1.00000
