TmAl(ZnH4)2
Alexandria ALEXAlex-ID: agm007711368 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_325_spg164
AlH3 TmH3 Zn ZnH2
2024-02-08 01:10:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007711368).
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 agm007711368
data_agm007711368
_cell_length_a 4.34278
_cell_length_b 5.41657
_cell_length_c 5.71370
_cell_angle_alpha 92.55903
_cell_angle_beta 89.75559
_cell_angle_gamma 66.40926
_cell_volume 123.01207
_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 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.70307 0.59630 0.63219 1.00000
Zn2 Zn 0.29693 0.40370 0.36781 1.00000
H1 H 0.16331 0.17203 0.19926 1.00000
H2 H 0.14378 0.71410 0.19810 1.00000
H3 H 0.66691 0.17470 0.20159 1.00000
H4 H 0.83669 0.82797 0.80074 1.00000
H5 H 0.85622 0.28590 0.80190 1.00000
H6 H 0.33309 0.82530 0.79841 1.00000
H7 H 0.59085 0.82439 0.41909 1.00000
H8 H 0.40915 0.17561 0.58091 1.00000
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