TmH4IrPt2
Alexandria ALEXAlex-ID: agm004785960 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_37_spg42
TmH6Ir H3Pt TmPt3 Ir
2022-07-14 08:53:24.701086
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004785960).
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 agm004785960
data_agm004785960
_cell_length_a 4.54813
_cell_length_b 4.60050
_cell_length_c 5.03039
_cell_angle_alpha 111.64573
_cell_angle_beta 111.25955
_cell_angle_gamma 101.29525
_cell_volume 84.31566
_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 0.96042 0.46041 0.92079 1.00000
H1 H 0.54373 0.64350 0.67498 1.00000
H2 H 0.90019 0.41118 0.36584 1.00000
H3 H 0.46571 0.95468 0.36643 1.00000
H4 H 0.13142 0.03163 0.67491 1.00000
Ir1 Ir 0.70985 0.70984 0.41962 1.00000
Pt1 Pt 0.47660 0.97661 0.95330 1.00000
Pt2 Pt 0.19915 0.19919 0.39824 1.00000
Get direct link