TmCu2H8Pt3
Alexandria ALEXAlex-ID: agm006704591 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_391_spg44
Tm3H2Pt9 TmH3Pt Tm(H3Pt)4 Cu
2024-02-24 23:34:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006704591).
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 agm006704591
data_agm006704591
_cell_length_a 7.09968
_cell_length_b 7.09968
_cell_length_c 4.68076
_cell_angle_alpha 70.98852
_cell_angle_beta 70.98852
_cell_angle_gamma 44.10968
_cell_volume 153.74139
_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 0.88911 0.88911 0.97108 1.00000
Cu1 Cu 0.29013 0.29013 0.06281 1.00000
Cu2 Cu 0.42689 0.42689 0.43181 1.00000
H1 H 0.19370 0.19370 0.42107 1.00000
H2 H 0.72704 0.72704 0.87195 1.00000
H3 H 0.19411 0.19411 0.89501 1.00000
H4 H 0.29332 0.73408 0.10307 1.00000
H5 H 0.73408 0.29332 0.10307 1.00000
H6 H 0.29218 0.73326 0.59004 1.00000
H7 H 0.73326 0.29218 0.59004 1.00000
H8 H 0.72433 0.72433 0.38140 1.00000
Pt1 Pt 0.99066 0.49211 0.61062 1.00000
Pt2 Pt 0.49211 0.99066 0.61062 1.00000
Pt3 Pt 0.50818 0.50818 0.85148 1.00000
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