TmZnH4
Alexandria ALEXAlex-ID: agm007365048 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1888_spg36
ZnH2 TmH3 Zn
2025-05-26 23:45:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007365048).
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 agm007365048
data_agm007365048
_cell_length_a 3.35649
_cell_length_b 3.37754
_cell_length_c 10.23253
_cell_angle_alpha 80.51102
_cell_angle_beta 80.55884
_cell_angle_gamma 90.04504
_cell_volume 112.81980
_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 0.82190 0.89920 0.35926 1.00000
Tm2 Tm 0.18088 0.25847 0.64073 1.00000
Zn1 Zn 0.55810 0.63667 0.88129 1.00000
Zn2 Zn 0.44393 0.51722 0.11872 1.00000
H1 H 0.67891 0.77440 0.63756 1.00000
H2 H 0.31647 0.41197 0.36242 1.00000
H3 H 0.74969 0.33419 0.50052 1.00000
H4 H 0.25031 0.83478 0.49947 1.00000
H5 H 0.89515 0.47882 0.21096 1.00000
H6 H 0.10510 0.69011 0.78904 1.00000
H7 H 0.39490 0.97764 0.21074 1.00000
H8 H 0.60465 0.18855 0.78929 1.00000
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