TmZn2CuH8
Alexandria ALEXAlex-ID: agm007274846 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1343_spg12
Zn8Cu5 ZnH2 TmH3 CuH4
2024-10-14 14:47:44.078823
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007274846).
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 agm007274846
data_agm007274846
_cell_length_a 4.93995
_cell_length_b 5.87767
_cell_length_c 5.08376
_cell_angle_alpha 72.31449
_cell_angle_beta 70.94984
_cell_angle_gamma 81.41229
_cell_volume 132.72444
_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 0.50000 0.50000 1.00000
Zn1 Zn 0.37258 0.30868 0.91024 1.00000
Zn2 Zn 0.62742 0.69132 0.08976 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.28054 0.76902 0.16305 1.00000
H2 H 0.20590 0.24177 0.25515 1.00000
H3 H 0.76877 0.84029 0.27094 1.00000
H4 H 0.71946 0.23098 0.83695 1.00000
H5 H 0.79410 0.75823 0.74485 1.00000
H6 H 0.23123 0.15971 0.72906 1.00000
H7 H 0.29522 0.57291 0.71018 1.00000
H8 H 0.70478 0.42709 0.28982 1.00000
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