Nd10Fe2I15
Alexandria ALEXAlex-ID: agm007863333 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B10C15_0_spg2
Nd12Fe2I17 Fe NdI2
2024-08-25 00:09:47.041547
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007863333).
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 agm007863333
data_agm007863333
_cell_length_a 10.08080
_cell_length_b 10.88338
_cell_length_c 11.73140
_cell_angle_alpha 91.78790
_cell_angle_beta 114.35034
_cell_angle_gamma 110.45700
_cell_volume 1075.22193
_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
Nd1 Nd 0.23208 0.58022 0.05167 1.00000
Nd2 Nd 0.76792 0.41978 0.94833 1.00000
Nd3 Nd 0.29054 0.89509 0.26897 1.00000
Nd4 Nd 0.70946 0.10491 0.73103 1.00000
Nd5 Nd 0.08581 0.55017 0.32056 1.00000
Nd6 Nd 0.91419 0.44983 0.67944 1.00000
Nd7 Nd 0.83863 0.74804 0.17599 1.00000
Nd8 Nd 0.16137 0.25196 0.82401 1.00000
Nd9 Nd 0.97634 0.78920 0.91250 1.00000
Nd10 Nd 0.02366 0.21080 0.08750 1.00000
Fe1 Fe 0.03194 0.66830 0.11600 1.00000
Fe2 Fe 0.96806 0.33170 0.88400 1.00000
I1 I 0.33722 0.44287 0.30031 1.00000
I2 I 0.66278 0.55713 0.69969 1.00000
I3 I 0.20836 0.73832 0.81692 1.00000
I4 I 0.79164 0.26168 0.18308 1.00000
I5 I 0.13972 0.38442 0.58373 1.00000
I6 I 0.86028 0.61558 0.41627 1.00000
I7 I 0.38568 0.80019 0.53122 1.00000
I8 I 0.61432 0.19981 0.46878 1.00000
I9 I 0.26427 0.08829 0.05553 1.00000
I10 I 0.73573 0.91171 0.94447 1.00000
I11 I 0.56395 0.84522 0.22612 1.00000
I12 I 0.43605 0.15478 0.77388 1.00000
I13 I 0.09326 0.03887 0.33468 1.00000
I14 I 0.90674 0.96113 0.66532 1.00000
I15 I 0.50000 0.50000 0.00000 1.00000
