UTiP
Alexandria ALEXAlex-ID: agm005684722 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_6_spg62
Ti7P4 U2P U
2023-06-18 06:46:24.971429
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684722).
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 agm005684722
data_agm005684722
_cell_length_a 3.60715
_cell_length_b 7.79624
_cell_length_c 7.27886
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 204.69778
_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
U1 U 0.25000 0.38302 0.52274 1.00000
U2 U 0.75000 0.61698 0.47726 1.00000
U3 U 0.25000 0.11698 0.02274 1.00000
U4 U 0.75000 0.88302 0.97726 1.00000
Ti1 Ti 0.25000 0.56196 0.13290 1.00000
Ti2 Ti 0.75000 0.43804 0.86710 1.00000
Ti3 Ti 0.25000 0.93804 0.63290 1.00000
Ti4 Ti 0.75000 0.06196 0.36710 1.00000
P1 P 0.25000 0.65099 0.79750 1.00000
P2 P 0.75000 0.34901 0.20250 1.00000
P3 P 0.25000 0.84901 0.29750 1.00000
P4 P 0.75000 0.15099 0.70250 1.00000
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