La12Nd5Tm2
Alexandria ALEXAlex-ID: agm003372072 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_110_spg12
La2Nd La5Nd LaTm2
2022-02-07 01:03:26.576937
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003372072).
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 agm003372072
data_agm003372072
_cell_length_a 7.62501
_cell_length_b 11.31609
_cell_length_c 10.25039
_cell_angle_alpha 57.88874
_cell_angle_beta 90.00000
_cell_angle_gamma 109.68873
_cell_volume 687.33823
_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 0.00563 0.01126 0.20320 1.00000
La2 La 0.06757 0.66515 0.83473 1.00000
La3 La 0.59757 0.66515 0.83473 1.00000
La4 La 0.08988 0.68149 0.47012 1.00000
La5 La 0.59160 0.68149 0.47012 1.00000
La6 La 0.48994 0.97987 0.68927 1.00000
La7 La 0.51006 0.02013 0.31073 1.00000
La8 La 0.91012 0.31851 0.52988 1.00000
La9 La 0.40840 0.31851 0.52988 1.00000
La10 La 0.93243 0.33485 0.16527 1.00000
La11 La 0.40243 0.33485 0.16527 1.00000
La12 La 0.99437 0.98874 0.79680 1.00000
Nd1 Nd 0.17288 0.34575 0.81884 1.00000
Nd2 Nd 0.32500 0.64999 0.15462 1.00000
Nd3 Nd 0.00000 0.00000 0.50000 1.00000
Nd4 Nd 0.67500 0.35001 0.84538 1.00000
Nd5 Nd 0.82712 0.65425 0.18116 1.00000
Tm1 Tm 0.70088 0.00000 0.00000 1.00000
Tm2 Tm 0.29912 1.00000 1.00000 1.00000
Get direct link