TmU2P3
Alexandria ALEXAlex-ID: agm005658007 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
TmUP2 UP
2023-08-24 09:16:10.011445
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658007).
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 agm005658007
data_agm005658007
_cell_length_a 5.56109
_cell_length_b 7.86002
_cell_length_c 11.82302
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99666
_cell_volume 516.78824
_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
Tm1 Tm 0.24995 0.87594 0.08246 1.00000
Tm2 Tm 0.24995 0.37594 0.41754 1.00000
Tm3 Tm 0.75005 0.62406 0.58246 1.00000
Tm4 Tm 0.75005 0.12406 0.91754 1.00000
U1 U 0.25014 0.87535 0.75083 1.00000
U2 U 0.25014 0.37535 0.74917 1.00000
U3 U 0.24992 0.87618 0.41671 1.00000
U4 U 0.24992 0.37618 0.08329 1.00000
U5 U 0.75008 0.62382 0.91671 1.00000
U6 U 0.75008 0.12382 0.58329 1.00000
U7 U 0.74986 0.62465 0.25083 1.00000
U8 U 0.74986 0.12465 0.24917 1.00000
P1 P 0.25004 0.62652 0.58400 1.00000
P2 P 0.25004 0.12652 0.91600 1.00000
P3 P 0.25008 0.62571 0.91657 1.00000
P4 P 0.25008 0.12571 0.58343 1.00000
P5 P 0.24985 0.62563 0.25087 1.00000
P6 P 0.24985 0.12563 0.24913 1.00000
P7 P 0.75015 0.87437 0.75087 1.00000
P8 P 0.75015 0.37437 0.74913 1.00000
P9 P 0.74992 0.87429 0.41657 1.00000
P10 P 0.74992 0.37429 0.08343 1.00000
P11 P 0.74996 0.87348 0.08400 1.00000
P12 P 0.74996 0.37348 0.41600 1.00000
