Pr4Np4Ti3
Alexandria ALEXAlex-ID: agm009154677 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_203_spg2
Pr Np Ti
2024-03-08 16:59:09.996286
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009154677).
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 agm009154677
data_agm009154677
_cell_length_a 3.46355
_cell_length_b 6.83521
_cell_length_c 12.36441
_cell_angle_alpha 96.77185
_cell_angle_beta 97.97309
_cell_angle_gamma 75.37251
_cell_volume 279.43961
_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
Pr1 Pr 0.72910 0.64484 0.10223 1.00000
Pr2 Pr 0.27090 0.35516 0.89777 1.00000
Pr3 Pr 0.09131 0.46084 0.63521 1.00000
Pr4 Pr 0.90869 0.53916 0.36479 1.00000
Np1 Np 0.48954 0.19674 0.17892 1.00000
Np2 Np 0.68235 0.10210 0.46614 1.00000
Np3 Np 0.31765 0.89790 0.53386 1.00000
Np4 Np 0.51046 0.80326 0.82108 1.00000
Ti1 Ti 0.17858 0.93218 0.29186 1.00000
Ti2 Ti 0.82142 0.06782 0.70814 1.00000
Ti3 Ti 0.00000 0.00000 0.00000 1.00000
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