Th(HPt2)3
Alexandria ALEXAlex-ID: agm007334121 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_142_spg146
ThPt5 H3Pt
2024-03-15 17:29:51.785431
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007334121).
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 agm007334121
data_agm007334121
_cell_length_a 4.94965
_cell_length_b 5.31240
_cell_length_c 5.49913
_cell_angle_alpha 95.59970
_cell_angle_beta 90.31414
_cell_angle_gamma 109.03693
_cell_volume 135.92957
_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
Th1 Th 0.78617 0.29033 0.16285 1.00000
H1 H 0.57213 0.29212 0.58617 1.00000
H2 H 0.75869 0.78041 0.18449 1.00000
H3 H 0.29371 0.93494 0.05801 1.00000
Pt1 Pt 0.32387 0.48086 0.48610 1.00000
Pt2 Pt 0.11205 0.90691 0.33849 1.00000
Pt3 Pt 0.18667 0.10330 0.83493 1.00000
Pt4 Pt 0.43213 0.64230 0.01062 1.00000
Pt5 Pt 0.65960 0.99637 0.62133 1.00000
Pt6 Pt 0.87497 0.57247 0.71700 1.00000
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