Ho3Tm6Pu
Alexandria ALEXAlex-ID: agm005997334 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_1220_spg5
HoTm2 Pu
2023-09-15 16:43:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997334).
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 agm005997334
data_agm005997334
_cell_length_a 9.46327
_cell_length_b 9.95922
_cell_length_c 6.73662
_cell_angle_alpha 42.39089
_cell_angle_beta 44.38227
_cell_angle_gamma 58.21896
_cell_volume 299.39072
_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 0.39962 0.36444 0.79952 1.00000
Ho2 Ho 0.60011 0.74495 0.99637 1.00000
Ho3 Ho 0.20074 0.14171 0.60249 1.00000
Tm1 Tm 0.89984 0.52482 0.30053 1.00000
Tm2 Tm 0.15417 0.93138 0.36708 1.00000
Tm3 Tm 0.64596 0.25209 0.23379 1.00000
Tm4 Tm 0.06731 0.46074 0.72991 1.00000
Tm5 Tm 0.73157 0.05835 0.87107 1.00000
Tm6 Tm 0.40019 0.68867 0.80042 1.00000
Pu1 Pu 0.90050 0.83286 0.29883 1.00000
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