Ce3(NpTi)4
Alexandria ALEXAlex-ID: agm010058286 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_35_spg2
Ce Np Ti
2024-04-06 15:04:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010058286).
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
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# CIF generated by HEAS from Alexandria entry agm010058286
data_agm010058286
_cell_length_a 3.34450
_cell_length_b 6.07124
_cell_length_c 11.95913
_cell_angle_alpha 81.81792
_cell_angle_beta 82.65474
_cell_angle_gamma 73.60206
_cell_volume 229.59977
_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
Ce1 Ce 0.39257 0.11394 0.27752 1.00000
Ce2 Ce 0.68106 0.88905 0.72158 1.00000
Ce3 Ce 0.69806 0.00169 0.00092 1.00000
Np1 Np 0.75392 0.41600 0.06383 1.00000
Np2 Np 0.22593 0.58769 0.93502 1.00000
Np3 Np 0.51286 0.55882 0.62783 1.00000
Np4 Np 0.56698 0.43880 0.37311 1.00000
Ti1 Ti 0.10846 0.67621 0.21477 1.00000
Ti2 Ti 0.17559 0.17727 0.54060 1.00000
Ti3 Ti 0.89710 0.82073 0.45839 1.00000
Ti4 Ti 0.98762 0.31965 0.78642 1.00000
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