Tm(HfH4)2
Alexandria ALEXAlex-ID: agm006489136 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_143_spg2
Hf4H15 TmH3 HfH2
2024-08-14 09:54:59.226683
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006489136).
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 agm006489136
data_agm006489136
_cell_length_a 6.12098
_cell_length_b 6.12098
_cell_length_c 6.12098
_cell_angle_alpha 145.94407
_cell_angle_beta 138.27045
_cell_angle_gamma 54.91533
_cell_volume 84.89764
_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 0.50000 0.00000 0.50000 1.00000
Hf1 Hf 0.83818 0.33818 0.50000 1.00000
Hf2 Hf 0.16182 0.66182 0.50000 1.00000
H1 H 0.58969 0.82745 0.76224 1.00000
H2 H 0.93479 0.17255 0.76224 1.00000
H3 H 0.35818 0.35818 0.00000 1.00000
H4 H 0.21474 0.50000 0.71474 1.00000
H5 H 0.64182 0.64182 0.00000 1.00000
H6 H 0.06521 0.82745 0.23776 1.00000
H7 H 0.41031 0.17255 0.23776 1.00000
H8 H 0.78526 0.50000 0.28526 1.00000
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