Tm6Mn3H
Alexandria ALEXAlex-ID: agm007254753 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_6_spg2
Tm2Mn17 Tm TmH2
2024-03-26 12:50:03.085679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007254753).
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 agm007254753
data_agm007254753
_cell_length_a 6.09567
_cell_length_b 5.90871
_cell_length_c 7.18068
_cell_angle_alpha 87.61394
_cell_angle_beta 117.01719
_cell_angle_gamma 110.35689
_cell_volume 213.90855
_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 0.80545 0.18322 0.69862 1.00000
Tm2 Tm 0.79714 0.16544 0.15745 1.00000
Tm3 Tm 0.58002 0.59211 0.76437 1.00000
Tm4 Tm 0.41998 0.40789 0.23563 1.00000
Tm5 Tm 0.20286 0.83456 0.84255 1.00000
Tm6 Tm 0.19455 0.81678 0.30138 1.00000
Mn1 Mn 0.84482 0.81793 0.45957 1.00000
Mn2 Mn 0.15518 0.18207 0.54043 1.00000
Mn3 Mn 0.00000 0.50000 0.50000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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