Tm2CrNiH6
Alexandria ALEXAlex-ID: agm007613898 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_231_spg2
TmNiH3 TmH3 Cr
2024-07-09 19:18:59.877907
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007613898).
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 agm007613898
data_agm007613898
_cell_length_a 4.95686
_cell_length_b 4.95596
_cell_length_c 4.95621
_cell_angle_alpha 89.99979
_cell_angle_beta 119.98924
_cell_angle_gamma 119.99078
_cell_volume 86.11942
_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 0.50019 0.25008 0.75067 1.00000
Tm2 Tm 0.50019 0.75009 0.25053 1.00000
Cr1 Cr 0.00017 0.00008 0.00060 1.00000
Ni1 Ni 0.00041 0.50031 0.50086 1.00000
H1 H 0.99893 0.25236 0.74652 1.00000
H2 H 0.50625 0.25281 0.25236 1.00000
H3 H 0.00146 0.74767 0.25453 1.00000
H4 H 0.00252 0.25464 0.25471 1.00000
H5 H 0.49414 0.74738 0.74884 1.00000
H6 H 0.99780 0.74561 0.74638 1.00000
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