La(NdSi)4
Alexandria ALEXAlex-ID: agm012929326 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_968_spg19
La2Nd3Si4 Nd3Si2 NdSi
2024-12-09 17:52:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012929326).
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 agm012929326
data_agm012929326
_cell_length_a 7.82545
_cell_length_b 7.98727
_cell_length_c 15.23105
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 952.00195
_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 0.20910 0.81409 0.65013 1.00000
La2 La 0.70910 0.68591 0.34987 1.00000
La3 La 0.29090 0.18591 0.15013 1.00000
La4 La 0.79090 0.31409 0.84987 1.00000
Nd1 Nd 0.88694 0.98768 0.49964 1.00000
Nd2 Nd 0.38694 0.51232 0.50036 1.00000
Nd3 Nd 0.61306 0.01232 0.99964 1.00000
Nd4 Nd 0.11306 0.48768 0.00036 1.00000
Nd5 Nd 0.94169 0.81990 0.12780 1.00000
Nd6 Nd 0.44169 0.68010 0.87220 1.00000
Nd7 Nd 0.55831 0.18010 0.62780 1.00000
Nd8 Nd 0.05831 0.31990 0.37220 1.00000
Nd9 Nd 0.55897 0.18130 0.37044 1.00000
Nd10 Nd 0.05897 0.31870 0.62956 1.00000
Nd11 Nd 0.94103 0.81870 0.87044 1.00000
Nd12 Nd 0.44103 0.68130 0.12956 1.00000
Nd13 Nd 0.29486 0.18796 0.85350 1.00000
Nd14 Nd 0.79486 0.31204 0.14650 1.00000
Nd15 Nd 0.20514 0.81204 0.35350 1.00000
Nd16 Nd 0.70514 0.68796 0.64650 1.00000
Si1 Si 0.11463 0.52845 0.20999 1.00000
Si2 Si 0.61463 0.97155 0.79001 1.00000
Si3 Si 0.38537 0.47155 0.70999 1.00000
Si4 Si 0.88537 0.02845 0.29001 1.00000
Si5 Si 0.37856 0.47797 0.29300 1.00000
Si6 Si 0.87856 0.02203 0.70700 1.00000
Si7 Si 0.12144 0.52203 0.79300 1.00000
Si8 Si 0.62144 0.97797 0.20700 1.00000
Si9 Si 0.99657 0.61902 0.50080 1.00000
Si10 Si 0.49657 0.88098 0.49920 1.00000
Si11 Si 0.50343 0.38098 0.00080 1.00000
Si12 Si 0.00343 0.11902 0.99920 1.00000
Si13 Si 0.26470 0.10335 0.49967 1.00000
Si14 Si 0.76470 0.39665 0.50033 1.00000
Si15 Si 0.23530 0.89665 0.99967 1.00000
Si16 Si 0.73530 0.60335 0.00033 1.00000
