La5NdSm2Tm
Alexandria ALEXAlex-ID: agm005147248 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_41_spg140
La2Nd LaTm2 La5Nd LaSm
2023-01-08 02:05:40.403380
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005147248).
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 agm005147248
data_agm005147248
_cell_length_a 9.29743
_cell_length_b 9.29743
_cell_length_c 9.94437
_cell_angle_alpha 117.87032
_cell_angle_beta 117.87032
_cell_angle_gamma 90.00000
_cell_volume 644.96203
_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 0.93130 0.43130 0.27767 1.00000
La2 La 0.65363 0.15363 0.72233 1.00000
La3 La 0.06870 0.56870 0.72233 1.00000
La4 La 0.15363 0.06870 0.72233 1.00000
La5 La 0.56870 0.65363 0.72233 1.00000
La6 La 0.84637 0.93130 0.27767 1.00000
La7 La 0.43130 0.34637 0.27767 1.00000
La8 La 0.34637 0.84637 0.27767 1.00000
La9 La 0.50000 0.50000 0.00000 1.00000
La10 La 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.25000 0.25000 0.50000 1.00000
Nd2 Nd 0.75000 0.75000 0.50000 1.00000
Sm1 Sm 0.11167 0.38833 0.00000 1.00000
Sm2 Sm 0.61167 0.11167 1.00000 1.00000
Sm3 Sm 0.38833 0.88833 0.00000 1.00000
Sm4 Sm 0.88833 0.61167 0.00000 1.00000
Tm1 Tm 0.25000 0.75000 0.50000 1.00000
Tm2 Tm 0.75000 0.25000 0.50000 1.00000
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