Nd13Tl2
Alexandria ALEXAlex-ID: agm003286013 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B13_9_spg2
Nd5Tl3 Nd
2022-01-14 16:12:36.490258
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003286013).
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 agm003286013
data_agm003286013
_cell_length_a 7.06352
_cell_length_b 8.77182
_cell_length_c 9.18134
_cell_angle_alpha 113.54701
_cell_angle_beta 78.18806
_cell_angle_gamma 96.98382
_cell_volume 509.96057
_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 0.68912 0.65538 0.02965 1.00000
Nd2 Nd 0.31088 0.34462 0.97035 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
Nd4 Nd 0.26479 0.06498 0.58892 1.00000
Nd5 Nd 0.73521 0.93502 0.41108 1.00000
Nd6 Nd 0.12295 0.52477 0.73457 1.00000
Nd7 Nd 0.87705 0.47523 0.26543 1.00000
Nd8 Nd 0.36418 0.58671 0.38997 1.00000
Nd9 Nd 0.63582 0.41329 0.61003 1.00000
Nd10 Nd 0.49648 0.86101 0.79550 1.00000
Nd11 Nd 0.50352 0.13899 0.20450 1.00000
Nd12 Nd 0.80173 0.23215 0.84802 1.00000
Nd13 Nd 0.19827 0.76785 0.15198 1.00000
Tl1 Tl 0.94263 0.77574 0.61576 1.00000
Tl2 Tl 0.05737 0.22426 0.38424 1.00000
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