TmMn(H2Pt)2
Alexandria ALEXAlex-ID: agm007126997 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_39_spg82
Tm3H2Pt9 Tm(H3Pt)4 TmH3Pt MnH2
2024-03-05 11:23:31.905364
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007126997).
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 agm007126997
data_agm007126997
_cell_length_a 4.36044
_cell_length_b 4.33231
_cell_length_c 5.51359
_cell_angle_alpha 114.62177
_cell_angle_beta 114.67314
_cell_angle_gamma 90.77812
_cell_volume 83.79583
_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 0.50567 0.49165 0.49711 1.00000
Mn1 Mn 0.30664 0.70606 0.99895 1.00000
H1 H 0.31658 0.90976 0.35467 1.00000
H2 H 0.70123 0.06885 0.21907 1.00000
H3 H 0.93680 0.31879 0.79382 1.00000
H4 H 0.08432 0.65858 0.63266 1.00000
Pt1 Pt 0.02292 0.97807 0.50762 1.00000
Pt2 Pt 0.73879 0.25529 0.99610 1.00000
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