Np4Ti4Pd3
Alexandria ALEXAlex-ID: agm009988239 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_110_spg12
Ti3Pd5 Ti2Pd Np
2024-03-08 20:46:48.767426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009988239).
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 agm009988239
data_agm009988239
_cell_length_a 20.15733
_cell_length_b 20.15733
_cell_length_c 3.30207
_cell_angle_alpha 94.69329
_cell_angle_beta 94.69329
_cell_angle_gamma 8.60531
_cell_volume 200.07595
_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
Np1 Np 0.09209 0.09209 0.59268 1.00000
Np2 Np 0.26574 0.26574 0.76566 1.00000
Np3 Np 0.73426 0.73426 0.23434 1.00000
Np4 Np 0.90791 0.90791 0.40732 1.00000
Ti1 Ti 0.53998 0.53998 0.04010 1.00000
Ti2 Ti 0.46002 0.46002 0.95990 1.00000
Ti3 Ti 0.81512 0.81512 0.31453 1.00000
Ti4 Ti 0.18488 0.18488 0.68547 1.00000
Pd1 Pd 0.64678 0.64678 0.14765 1.00000
Pd2 Pd 0.35322 0.35322 0.85235 1.00000
Pd3 Pd 0.00000 0.00000 0.50000 1.00000
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