Ho3Pu(ThAs3)2
Alexandria ALEXAlex-ID: agm004620009 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
PuThAs2 Ho3ThAs4
2022-06-26 08:25:23.701494
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004620009).
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 agm004620009
data_agm004620009
_cell_length_a 4.17424
_cell_length_b 8.30786
_cell_length_c 9.30422
_cell_angle_alpha 102.73384
_cell_angle_beta 102.96289
_cell_angle_gamma 90.00000
_cell_volume 306.28970
_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 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.83341 0.16625 0.66682 1.00000
Ho3 Ho 0.16659 0.83375 0.33318 1.00000
Pu1 Pu 0.50000 0.00000 0.00000 1.00000
Th1 Th 0.83531 0.67010 0.67062 1.00000
Th2 Th 0.16469 0.32990 0.32938 1.00000
As1 As 0.33222 0.92276 0.66445 1.00000
As2 As 0.66534 0.58790 0.33068 1.00000
As3 As 0.66778 0.07724 0.33555 1.00000
As4 As 0.99752 0.25046 0.99505 1.00000
As5 As 0.00248 0.74954 0.00495 1.00000
As6 As 0.33466 0.41210 0.66932 1.00000
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