HfTh(H4Pt)2
Alexandria ALEXAlex-ID: agm007404737 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_35_spg2
Th4H15 Hf4H15 HfPt3 H2
2024-02-09 10:41:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007404737).
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 agm007404737
data_agm007404737
_cell_length_a 4.86783
_cell_length_b 4.86451
_cell_length_c 7.02503
_cell_angle_alpha 77.00979
_cell_angle_beta 64.34808
_cell_angle_gamma 51.70369
_cell_volume 117.46420
_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
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.00000 0.50000 0.50000 1.00000
H1 H 0.60413 0.20305 0.53378 1.00000
H2 H 0.00809 0.93728 0.71100 1.00000
H3 H 0.39587 0.79695 0.46622 1.00000
H4 H 0.06238 0.36944 0.83532 1.00000
H5 H 0.93762 0.63056 0.16468 1.00000
H6 H 0.50903 0.52653 0.82942 1.00000
H7 H 0.49097 0.47347 0.17058 1.00000
H8 H 0.99191 0.06272 0.28900 1.00000
Pt1 Pt 0.53307 0.14290 0.79757 1.00000
Pt2 Pt 0.46693 0.85710 0.20243 1.00000
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