La5TbNd2Th
Alexandria ALEXAlex-ID: agm005164646 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_252_spg36
La2Nd La5Nd La3Tb4Nd LaTh4
2023-01-08 02:44:15.360946
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005164646).
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 agm005164646
data_agm005164646
_cell_length_a 5.57852
_cell_length_b 11.38663
_cell_length_c 10.62869
_cell_angle_alpha 89.99737
_cell_angle_beta 89.99999
_cell_angle_gamma 104.16576
_cell_volume 654.60987
_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
La1 La 0.36999 0.73965 0.00818 1.00000
La2 La 0.72414 0.44838 0.81712 1.00000
La3 La 0.50004 0.00007 0.75817 1.00000
La4 La 0.27595 0.55180 0.69951 1.00000
La5 La 0.99875 0.99849 0.50818 1.00000
La6 La 0.62999 0.26032 0.50810 1.00000
La7 La 0.27585 0.55159 0.31716 1.00000
La8 La 0.49995 0.99989 0.25816 1.00000
La9 La 0.72408 0.44826 0.19951 1.00000
La10 La 0.00125 0.00151 0.00811 1.00000
Tb1 Tb 0.60349 0.20559 0.00820 1.00000
Tb2 Tb 0.39652 0.79442 0.50821 1.00000
Nd1 Nd 0.88809 0.77583 0.75628 1.00000
Nd2 Nd 0.11200 0.22434 0.76004 1.00000
Nd3 Nd 0.11189 0.22412 0.25622 1.00000
Nd4 Nd 0.88803 0.77572 0.26015 1.00000
Th1 Th 0.78975 0.58028 0.50833 1.00000
Th2 Th 0.21026 0.41974 0.00830 1.00000
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