Ho2Pu3Ti8
Alexandria ALEXAlex-ID: agm010252528 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_1034_spg2
Ho Pu Ti
2024-03-08 16:55:53.309649
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010252528).
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 agm010252528
data_agm010252528
_cell_length_a 4.29170
_cell_length_b 6.90087
_cell_length_c 9.22009
_cell_angle_alpha 84.97167
_cell_angle_beta 76.53566
_cell_angle_gamma 90.00036
_cell_volume 264.48032
_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
Ho1 Ho 0.68722 0.53913 0.62556 1.00000
Ho2 Ho 0.31278 0.46087 0.37444 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.38240 0.06501 0.23526 1.00000
Pu3 Pu 0.61760 0.93499 0.76474 1.00000
Ti1 Ti 0.76897 0.12781 0.46199 1.00000
Ti2 Ti 0.23103 0.87219 0.53801 1.00000
Ti3 Ti 0.53111 0.31984 0.93753 1.00000
Ti4 Ti 0.46889 0.68016 0.06247 1.00000
Ti5 Ti 0.06950 0.60431 0.86128 1.00000
Ti6 Ti 0.85195 0.77950 0.29621 1.00000
Ti7 Ti 0.14805 0.22050 0.70379 1.00000
Ti8 Ti 0.93050 0.39569 0.13872 1.00000
Get direct link