La5(Nd6Tm)2
Alexandria ALEXAlex-ID: agm005651237 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_247_spg12
NdTm2 La3Nd5 Nd
2023-06-26 01:29:53.633533
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651237).
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 agm005651237
data_agm005651237
_cell_length_a 5.27007
_cell_length_b 13.75645
_cell_length_c 13.75645
_cell_angle_alpha 44.82230
_cell_angle_beta 78.92512
_cell_angle_gamma 78.92513
_cell_volume 687.66846
_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 0.30129 0.19839 0.19839 1.00000
La2 La 0.69793 0.30236 0.30236 1.00000
La3 La 0.50000 0.00000 0.00000 1.00000
La4 La 0.30207 0.69764 0.69764 1.00000
La5 La 0.69871 0.80161 0.80161 1.00000
Nd1 Nd 0.10006 0.90041 0.90041 1.00000
Nd2 Nd 0.19558 0.54876 0.06009 1.00000
Nd3 Nd 0.19558 0.06009 0.54876 1.00000
Nd4 Nd 0.59301 0.64827 0.16569 1.00000
Nd5 Nd 0.59301 0.16569 0.64827 1.00000
Nd6 Nd 0.09029 0.40967 0.40967 1.00000
Nd7 Nd 0.90971 0.59033 0.59033 1.00000
Nd8 Nd 0.40699 0.35173 0.83431 1.00000
Nd9 Nd 0.40699 0.83431 0.35173 1.00000
Nd10 Nd 0.80442 0.45124 0.93991 1.00000
Nd11 Nd 0.80442 0.93991 0.45124 1.00000
Nd12 Nd 0.89994 0.09959 0.09959 1.00000
Tm1 Tm 1.00000 0.22575 0.77425 1.00000
Tm2 Tm 0.00000 0.77425 0.22575 1.00000
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