SrNd3F11
Alexandria ALEXAlex-ID: agm008290482 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C11_2_spg2
NdF3 SrF2
2024-12-08 08:46:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008290482).
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 agm008290482
data_agm008290482
_cell_length_a 8.01842
_cell_length_b 8.20723
_cell_length_c 8.38479
_cell_angle_alpha 79.27452
_cell_angle_beta 117.60703
_cell_angle_gamma 118.62552
_cell_volume 428.74670
_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
Sr1 Sr 0.29508 0.33652 0.74697 1.00000
Sr2 Sr 0.70492 0.66348 0.25303 1.00000
Nd1 Nd 0.29855 0.82198 0.76013 1.00000
Nd2 Nd 0.76791 0.31511 0.71825 1.00000
Nd3 Nd 0.79982 0.84255 0.75839 1.00000
Nd4 Nd 0.20018 0.15745 0.24161 1.00000
Nd5 Nd 0.23209 0.68489 0.28175 1.00000
Nd6 Nd 0.70145 0.17802 0.23987 1.00000
F1 F 0.96654 0.15075 0.92988 1.00000
F2 F 0.39440 0.83817 0.07440 1.00000
F3 F 0.13825 0.50197 0.81732 1.00000
F4 F 0.57712 0.98511 0.67611 1.00000
F5 F 0.41791 0.27181 0.07475 1.00000
F6 F 0.67512 0.51674 0.79741 1.00000
F7 F 0.91536 0.67025 0.64772 1.00000
F8 F 0.14402 0.00110 0.77253 1.00000
F9 F 0.11597 0.82825 0.42565 1.00000
F10 F 0.38880 0.21377 0.55917 1.00000
F11 F 0.67232 0.36942 0.41425 1.00000
F12 F 0.32768 0.63058 0.58575 1.00000
F13 F 0.61120 0.78623 0.44083 1.00000
F14 F 0.88403 0.17175 0.57435 1.00000
F15 F 0.85598 0.99890 0.22747 1.00000
F16 F 0.08464 0.32975 0.35228 1.00000
F17 F 0.32488 0.48326 0.20259 1.00000
F18 F 0.58209 0.72819 0.92525 1.00000
F19 F 0.42288 0.01489 0.32389 1.00000
F20 F 0.86175 0.49803 0.18268 1.00000
F21 F 0.60560 0.16183 0.92560 1.00000
F22 F 0.03346 0.84925 0.07012 1.00000
