Ba(NdTi)2
Alexandria ALEXAlex-ID: agm012856014 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_310_spg139
Ba Nd Ti
2024-06-01 22:42:01.475262
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012856014).
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 agm012856014
data_agm012856014
_cell_length_a 13.09024
_cell_length_b 13.09075
_cell_length_c 3.40844
_cell_angle_alpha 82.51102
_cell_angle_beta 82.52812
_cell_angle_gamma 14.96086
_cell_volume 149.47847
_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
Ba1 Ba 0.50000 0.50000 0.50000 1.00000
Nd1 Nd 0.69065 0.69065 0.30935 1.00000
Nd2 Nd 0.30935 0.30935 0.69065 1.00000
Ti1 Ti 0.89129 0.89129 0.10871 1.00000
Ti2 Ti 0.10871 0.10871 0.89129 1.00000
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