HoTa(H3Pt)2
Alexandria ALEXAlex-ID: agm007806049 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_507_spg15
HoH11 TaPt2 HoH3
2024-03-15 21:31:03.565554
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007806049).
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 agm007806049
data_agm007806049
_cell_length_a 6.01794
_cell_length_b 6.01794
_cell_length_c 5.67741
_cell_angle_alpha 77.82179
_cell_angle_beta 77.82179
_cell_angle_gamma 98.39731
_cell_volume 192.51498
_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 0.67020 0.32980 0.75000 1.00000
Ho2 Ho 0.32980 0.67020 0.25000 1.00000
Ta1 Ta 0.02630 0.97370 0.75000 1.00000
Ta2 Ta 0.97370 0.02630 0.25000 1.00000
H1 H 0.79425 0.04017 0.98756 1.00000
H2 H 0.95983 0.20575 0.51244 1.00000
H3 H 0.20575 0.95983 0.01244 1.00000
H4 H 0.04017 0.79425 0.48756 1.00000
H5 H 0.70103 0.69623 0.89737 1.00000
H6 H 0.30377 0.29897 0.60263 1.00000
H7 H 0.29897 0.30377 0.10263 1.00000
H8 H 0.69623 0.70103 0.39737 1.00000
H9 H 0.33615 0.90921 0.55472 1.00000
H10 H 0.09079 0.66385 0.94528 1.00000
H11 H 0.66385 0.09079 0.44528 1.00000
H12 H 0.90921 0.33615 0.05472 1.00000
Pt1 Pt 0.81498 0.55881 0.18273 1.00000
Pt2 Pt 0.44119 0.18502 0.31727 1.00000
Pt3 Pt 0.18502 0.44119 0.81727 1.00000
Pt4 Pt 0.55881 0.81498 0.68273 1.00000
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