Tm(H4Pt)3
Alexandria ALEXAlex-ID: agm007307322 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_923_spg1
Tm(H3Pt)4 TmH3 H2
2025-05-27 23:35:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007307322).
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 agm007307322
data_agm007307322
_cell_length_a 5.85357
_cell_length_b 5.70276
_cell_length_c 5.67800
_cell_angle_alpha 100.94998
_cell_angle_beta 102.57377
_cell_angle_gamma 118.45186
_cell_volume 152.82980
_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
Tm1 Tm 0.05523 0.06448 0.06077 1.00000
H1 H 0.47569 0.38893 0.14136 1.00000
H2 H 0.92636 0.68261 0.19857 1.00000
H3 H 0.51762 0.52576 0.25619 1.00000
H4 H 0.25649 0.57905 0.90962 1.00000
H5 H 0.57132 0.24845 0.86475 1.00000
H6 H 0.67832 0.94005 0.20257 1.00000
H7 H 0.44816 0.12899 0.35309 1.00000
H8 H 0.12570 0.86663 0.67904 1.00000
H9 H 0.36822 0.13814 0.44484 1.00000
H10 H 0.16447 0.48708 0.34933 1.00000
H11 H 0.86863 0.14641 0.67150 1.00000
H12 H 0.18482 0.41477 0.44923 1.00000
Pt1 Pt 0.42647 0.92632 0.92147 1.00000
Pt2 Pt 0.92091 0.44038 0.91752 1.00000
Pt3 Pt 0.88655 0.89693 0.45513 1.00000
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